Chemical Compound
WKPUBLILKSBNLE-YXOTWFKMSA-
CAS Registry Number
114915-16-1
Primary Record
WKPUBLILKSBNLE-YXOTWFKMSA-
- In stock
- 5,550 g
- Purity
- 98.6 %
- CAS
- 114915-16-1
Compound Identifiers & Properties
- CAS
- 114915-16-1
- PubChem CID
- 10996756
- 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)N)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl
- Canonical SMILES
- CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@]1(C)C(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](N)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
Names & Synonyms
- WKPUBLILKSBNLE-YXOTWFKMSA-
- CID10996756
- CID 10996756
- 114915-16-1
- N-Des-t-boc-10-deacetyl-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel
- Benzenepropanoic acid, beta-amino-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaS)-
- (|AR,|AS)-|A-Amino-|A-hydroxy-benzenepropanoic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester
- InChI=1/C44H47Cl6NO16/c1-21-25(63-36(56)30(53)29(51)23-12-8-6-9-13-23)17-42(59)34(66-35(55)24-14-10-7-11-15-24)32-40(5,33(54)31(28(21)39(42,3)4)65-38(58)62-20-44(48,49)50)26(64-37(57)61-19-43(45,46)47)16-27-41(32,18-60-27)67-22(2)52/h6-15,25-27,29-32,34,5