Chem
J-GLOBAL ID：200907042261136508   Nikkaji number：J852.493I

Wilforic acid C

ウィルホリン酸C
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： C30H48O4
Molecular formula furigana： C30-H48-O4
Molecular weight： 472.710
InChI： InChI=1S/C30H48O4/c1-18-23(32)19(31)16-21-27(18,4)9-8-20-28(21,5)13-15-30(7)22-17-26(3,24(33)34)11-10-25(22,2)12-14-29(20,30)6/h18-22,31H,8-17H2,1-7H3,(H,33,34)/t18-,19-,20-,21+,22+,25+,26+,27+,28+,29+,30-/m0/s1
InChI key： KVLFXTHBJNNYDP-XFCMFGHLSA-N
SMILES： C[C@H]1C(=O)[C@@H](O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(=O)O
Systematic name  (3)：
  • 2β-ヒドロキシ-3-オキソフリーデラン-29-酸
  • (2R,4aS,6aR,6bS,8aS,9R,11S,12aS,12bS,14aS,14bR)-11-ヒドロキシ-2,4a,6a,8a,9,12b,14a-ヘプタメチル-10-オキソ-ドコサヒドロピセン-2-カルボン酸
  • (2R,4aS,6aR,6bS,8aS,9R,11S,12aS,12bS,14aS,14bR)-11-hydroxy-2,4a,6a,8a,9,12b,14a-heptamethyl-10-oxo-docosahydropicene-2-carboxylic acid
Other name (5)：
  • ウィルホリン酸C
  • Wilforic acid C
  • 2β-Hydroxy-3-oxofriedelan-29-oic acid
  • ウィルホリン酸F
  • Wilforic acid F
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