Chemical Compound

methyl (3S,5R,8S,9R,10S,13R,14R,16R)-16-((2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl)-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta(a)phenanthrene-14-carboxylate

methyl (3S,5R,8S,9R,10S,13R,14R,16R)-16-((2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl)-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta(a)phenanthrene-14-carboxylate 结构式
Primary record

methyl (3S,5R,8S,9R,10S,13R,14R,16R)-16-((2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl)-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta(a)phenanthrene-14-carboxylate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
146683137
SMILES
CC1=C[C@@H]2[C@](CC[C@H]3[C@]2(CC[C@@H](C3(C)C)OC(=O)C)C=O)([C@]4([C@@]1(C(=O)[C@@](C4=O)(C)CC5=CC(=C(C(=C5C(=O)C)O)O)OC)C)C(=O)OC)C
Canonical SMILES
COC(=O)[C@@]12C(=O)[C@](C)(Cc3cc(OC)c(O)c(O)c3C(C)=O)C(=O)[C@]1(C)C(C)=C[C@H]1[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@@]12C

名称与同义词

  • Isopenicin C
  • RefChem:149706
  • CHEBI:209359
  • Methyl (1R,2S,5S,7R,10S,11R,13R,15R)-13-((2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl)-5-(acetyloxy)-2-formyl-6,6,10,13,15,16-hexamethyl-12,14-dioxotetracyclo(8.7.0.0,.0,)heptadec-16-ene-11-carboxylic acid
  • Methyl (1R,2S,5S,7R,10S,11R,13R,15R)-13-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-(acetyloxy)-2-formyl-6,6,10,13,15,16-hexamethyl-12,14-dioxotetracyclo[8.7.0.0,.0,]heptadec-16-ene-11-carboxylic acid
  • methyl (3S,5R,8S,9R,10S,13R,14R,16R)-16-((2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl)-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta(a)phenanthrene-14-carboxylate
  • methyl (3S,5R,8S,9R,10S,13R,14R,16R)-16-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
  • methyl (3S,5R,8S,9R,10S,13R,14R,16R)-16-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-3-acetyloxy-10-ormyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate