Chem
J-GLOBAL ID：200907074277250601   Nikkaji number：J279.408J

3β-Hydroxy-11-oxooleana-12-ene-30-oic acid benzyl ester

3β-ヒドロキシ-11-オキソオレアナ-12-エン-30-酸ベンジル
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： C37H52O4
Molecular formula furigana： C37-H52-O4
Molecular weight： 560.819
InChI： InChI=1S/C37H52O4/c1-32(2)28-13-16-37(7)30(35(28,5)15-14-29(32)39)27(38)21-25-26-22-34(4,18-17-33(26,3)19-20-36(25,37)6)31(40)41-23-24-11-9-8-10-12-24/h8-12,21,26,28-30,39H,13-20,22-23H2,1-7H3/t26-,28-,29-,30+,33+,34-,35-,36+,37+/m0/s1
InChI key： UNRVOFRDIGTQBY-CJBAOGIUSA-N
SMILES： CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)OCc1ccccc1
Systematic name  (5)：
  • (20S)-3β-ヒドロキシ-11-オキソ-5α-オレアナ-12-エン-29-酸ベンジル
  • 3β-ヒドロキシ-11-オキソオレアナ-12-エン-30-酸フェニルメチル
  • 3β-ヒドロキシ-11-オキソオレアナ-12-エン-30-酸ベンジル
  • ベンジル (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-ヒドロキシ-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-カルボキシラート
  • benzyl (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-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-carboxylate
Other name (3)：
  • 3β-Hydroxy-11-oxoolean-12-en-30-oic acid phenylmethyl ester
  • (20S)-3β-Hydroxy-11-oxo-5α-olean-12-en-29-oic acid benzyl ester
  • 3β-Hydroxy-11-oxooleana-12-ene-30-oic acid benzyl ester
CAS registry number： 51984-75-9
Regulation number (1)：
  • EINECS2575763
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