Chem
J-GLOBAL ID：200907047175122792   Nikkaji number：J852.491B

Wilforic acid

ウィルホリン酸
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： C29H42O4
Molecular formula furigana： C29-H42-O4
Molecular weight： 454.651
InChI： InChI=1S/C29H42O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h15,21-22,30-31H,7-14,16H2,1-6H3,(H,32,33)/t21-,22+,25+,26+,27-,28+,29-/m0/s1
InChI key： NBMIXMLIGPLJPK-KHYSSQCESA-N
SMILES： Cc1c(O)c(O)cc2c1CC[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  (4)：
  • 2,3-ジヒドロキシ-24-ノルフリーデラ-1,3,5(10)-トリエン-29-酸
  • 2,3-ジヒドロキシ-24-ノルフリーデラ-1(10),2,4-トリエン-29-酸
  • (2R,4aS,6aR,6bR,12bR,14aS,14bR)-10,11-ジヒドロキシ-2,4a,6a,9,12b,14a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,12b,13,14,14a,14b-ヘキサデカヒドロピセン-2-カルボン酸
  • (2R,4aS,6aR,6bR,12bR,14aS,14bR)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,12b,13,14,14a,14b-hexadecahydropicene-2-carboxylic acid
Other name (6)：
  • ウィルホリン酸
  • Wilforic acid
  • 2,3-Dihydroxy-24-norfriedela-1,3,5(10)-trien-29-oic acid
  • 2,3-Dihydroxy-24-norfriedela-1(10),2,4-triene-29-oic acid
  • ウィルホリン酸A
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