Chemical Compound

(2S,3R,4R,6R)-6-[19-({[(2S,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}(methoxy)methyl)-10,13-dihydroxy-6,17-dimethoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosane-18,2'-oxirane]-2,4,6,12,14-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetate

CAS Registry Number 99755-38-1
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(2S,3R,4R,6R)-6-[19-({[(2S,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}(methoxy)methyl)-10,13-dihydroxy-6,17-dimethoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosane-18,2'-oxirane]-2,4,6,12,14-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetate 结构式
Primary record

(2S,3R,4R,6R)-6-[19-({[(2S,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}(methoxy)methyl)-10,13-dihydroxy-6,17-dimethoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosane-18,2'-oxirane]-2,4,6,12,14-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetate

库存
1,957 克
纯度
99.3 %
CAS
99755-38-1

化合物标识与属性

CAS
99755-38-1
PubChem CID
101607769
SMILES
C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@@H](O[C@H](C[C@]2(C)O)OC(C34C5(CO5)C6(C(O3)C(O4)C7=C(O6)C8=C(C=C7C)C(=C9C(CC(C(=O)C9=C8O)O)O[C@H]1C[C@@]([C@@H]([C@@H](O1)C)OC(=O)C)(C)O)OC)OC)OC)C)(C)O)O
Canonical SMILES
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)O[C@H]5C[C@](C)(O)[C@@H](O[C@H]6C[C@](C)(O)[C@@H](O)[C@H](C)O6)[C@H](C)O5)OC1C(OC)(O4)C31CO1)C(=O)C(O)CC2O[C@H]1C[C@@](C)(O)[C@H](OC(C)=O)[C@H](C)O1

名称与同义词

  • LL-D49194alpha1
  • LL-D-49194alpha1
  • LL-D 49194 alpha1
  • C48H64O22
  • C48-H64-O22
  • J413.945C
  • (2S,3R,4R,6R)-6-[19-({[(2S,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}(methoxy)methyl)-10,13-dihydroxy-6,17-dimethoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosane-18,2'-oxirane]-2,4,6,12,14-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetate
  • 13-O-De(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)-16-O-demethyl-16-O-[2,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-xylo-hexopyranosyl)-3-C-methyl-alpha-L-xylo-hexopyranosyl]-13-O-methyltrioxacarcin A
  • 99755-38-1