Chemical Compound

Benzenepropanoic acid, ss-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ssS)-; Benzenepropanoic acid, ss-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aa,4ss,4ass,6ss,9a(aR*,ssS*),11a,12a,12aa,12ba]]-; 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.; 10-Acetyldocetaxel; 10-Acetyltaxotere; Docetaxal; PNU 101383; 5ss,20-Epoxy-1,7ss-dihydroxy-9-oxotax-11-ene-2a,4,10ss,13a-tetrayl 4,10-diacetate 2 benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbo

CAS Registry Number 125354-16-7
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Benzenepropanoic acid, ss-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ssS)-; Benzenepropanoic acid, ss-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aa,4ss,4ass,6ss,9a(aR*,ssS*),11a,12a,12aa,12ba]]-; 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.; 10-Acetyldocetaxel; 10-Acetyltaxotere; Docetaxal; PNU 101383; 5ss,20-Epoxy-1,7ss-dihydroxy-9-oxotax-11-ene-2a,4,10ss,13a-tetrayl 4,10-diacetate 2 benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbo 结构式
Primary record

Benzenepropanoic acid, ss-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ssS)-; Benzenepropanoic acid, ss-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aa,4ss,4ass,6ss,9a(aR*,ssS*),11a,12a,12aa,12ba]]-; 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.; 10-Acetyldocetaxel; 10-Acetyltaxotere; Docetaxal; PNU 101383; 5ss,20-Epoxy-1,7ss-dihydroxy-9-oxotax-11-ene-2a,4,10ss,13a-tetrayl 4,10-diacetate 2 benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbo

库存
3,110 克
纯度
98.5 %
CAS
125354-16-7

化合物标识与属性

CAS
125354-16-7
PubChem CID
147895
SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
Canonical SMILES
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O

名称与同义词

  • Docetaxal
  • docetaxel
  • Docetaxol
  • 10-Acetyl Docetaxel
  • Phop protein
  • 10-Acetyltaxotere
  • 125354-16-7
  • Docetaxel EP Impurity G
  • 10-Acetyldocetaxel
  • Docetaxel trihydrate
  • JZJ9Y4RJ4Q
  • AC1L3W1Y
  • 10-Acetyl Docetaxel (EP)
  • N-Debenzoyl-N-(tert-butoxycarbonyl)taxol
  • CHEMBL302290
  • orb1691866
  • 10-AcetyltaxotereNU 101383
  • SCHEMBL14574437
  • LEMYAXKYCOBYOJ-OAGWZNDDSA-
  • DTXSID20925105
  • LEMYAXKYCOBYOJ-OAGWZNDDSA-N
  • HY-B0018
  • CID147895
  • CX1409
  • MFCD00871399
  • AKOS027326611
  • ZINC169302875
  • EBD2197759
  • FS-9815
  • PNU-101383
  • PNU-103310
  • AN-32629
  • SY034868
  • J616.541I
  • CS-0002386
  • FT-0658842
  • F20717
  • 354D167
  • A930777
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaS)-
  • (1S)-4alpha,10beta-Bis(acetoxy)-2alpha-(benzoyloxy)-5beta,20-epoxy-1,7beta-dihydroxy-13alpha-[[(2R,3S)-2-hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionyl]oxy]tax-11-en-9-one
  • (1S)-4alpha,10beta-Bis(acetoxy)-2alpha-(benzoyloxy)-5beta,20-epoxy-1,7beta-dihydroxy-13alpha-[[(2R,3S)-2-hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionyl]oxy]taxa-11-ene-9-one
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy}-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3),(1)?.0?,?]heptadec-13-en-2-yl benzoate
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR)-12-(benzoyloxy)-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,
  • (2R,3S)-2-Hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotaxa-11-ene-13alpha-yl ester
  • (2R,3S)-2-Hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester
  • (2R,3S)-2-Hydroxy-3-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic acid [(2aR,11S)-6alpha,12bbeta-bis(acetoxy)-12beta-(benzoyloxy)-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4alpha,11-dihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet]-9beta-yl ester
  • (2R,3S)-2-Hydroxy-3-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic acid [(2aR,11S)-6alpha,12bbeta-bis(acetoxy)-12beta-(benzoyloxy)-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4alpha,11-dihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benzo[1,2-b]oxete]-9beta-yl ester
  • (2R,3S)-2-Hydroxy-3-phenyl-3-[(tert-butyloxycarbonyl)amino]propanoic acid (1S)-1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester
  • (2R,3S)-3-(tert-Butoxycarbonylamino)-2-hydroxy-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester
  • 4,10-Bis(acetyloxy)-13-[(3-{[tert-butoxy(hydroxy)methylidene]amino}-2-hydroxy-3-phenylpropanoyl)oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
  • 4,10beta-Bis(acetyloxy)-13alpha-{[(2R,3S)-3-{[tert-butoxy(hydroxy)methylidene]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,7beta-dihydroxy-9-oxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate
  • 9-Oxo-5beta,20-epoxytaxa-11-ene-1,2alpha,4,7beta,10beta,13alpha-hexol 2-benzoate 4,10-diacetate 13-[(2R,3S)-2-hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionate]
  • Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha]]-
  • Benzenepropanoic acid, ss-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ssS)-; Benzenepropanoic acid, ss-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aa,4ss,4ass,6ss,9a(aR*,ssS*),11a,12a,12aa,12ba]]-; 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.; 10-Acetyldocetaxel; 10-Acetyltaxotere; Docetaxal; PNU 101383; 5ss,20-Epoxy-1,7ss-dihydroxy-9-oxotax-11-ene-2a,4,10ss,13a-tetrayl 4,10-diacetate 2 benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbo
  • InChI=1/C45H55NO15/c1-23-28(58-39(53)33(50)32(26-16-12-10-13-17-26)46-40(54)61-41(4,5)6)21-45(55)37(59-38(52)27-18-14-11-15-19-27)35-43(9,29(49)20-30-44(35,22-56-30)60-25(3)48)36(51)34(57-24(2)47)31(23)42(45,7)8/h10-19,28-30,32-35,37,49-50,55H,20-22H2,1-9