Chem
J-GLOBAL ID：200907015655248002   Nikkaji number：J211.515H

3β-(Acetyloxy)-11-oxoolean-12-en-30-oic acid

3β-アセトキシ-11-オキソオレアナ-12-エン-30-酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H48O5
Molecular formula furigana： C32-H48-O5
Molecular weight： 512.731
InChI： InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
InChI key： FTQDJVZNPJRVPG-XWEVEMRCSA-N
SMILES： CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(=O)O)C1(C)C
Systematic name  (5)：
  • 3β-アセトキシ-11-オキソオレアナ-12-エン-30-酸
  • 3β-(アセチルオキシ)-11-オキソオレアナ-12-エン-30-酸
  • (20S)-3β-(アセチルオキシ)-11-オキソオレアナ-12-エン-29-酸
  • (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(アセチルオキシ)-2,4a,6a,6b,9,9,12a-ヘプタメチル-13-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-2-カルボン酸
  • (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(acetyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Other name (2)：
  • (20S)-3β-(Acetyloxy)-11-oxoolean-12-en-29-oic acid
  • 3β-(Acetyloxy)-11-oxoolean-12-en-30-oic acid
CAS registry number： 6277-14-1
Regulation number (1)：
  • EINECS2284751
KEGG COMPOUND： C17734
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