Chem
J-GLOBAL ID：200907086601184216   Nikkaji number：J852.492K

Wilforic acid B

ウィルホリン酸B
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： C29H44O4
Molecular formula furigana： C29-H44-O4
Molecular weight： 456.667
InChI： InChI=1S/C29H44O4/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/h19-22,30H,7-16H2,1-6H3,(H,32,33)/t19-,20+,21+,22-,25-,26-,27-,28-,29+/m1/s1
InChI key： IBFPFYPZOPHYKC-IBYUHNJXSA-N
SMILES： CC1=C2CC[C@H]3[C@](C)(CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O)[C@@H]2C[C@H](O)C1=O
Systematic name  (3)：
  • 2β-ヒドロキシ-3-オキソ-24-ノルフリーデラ-4-エン-29-酸
  • (2R,4aS,6aR,6bS,11S,12aS,12bR,14aS,14bR)-11-ヒドロキシ-2,4a,6a,9,12b,14a-ヘキサメチル-10-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,12b,13,14,14a,14b-イコサヒドロピセン-2-カルボン酸
  • (2R,4aS,6aR,6bS,11S,12aS,12bR,14aS,14bR)-11-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene-2-carboxylic acid
Other name (3)：
  • ウィルホリン酸B
  • Wilforic acid B
  • 2β-Hydroxy-3-oxo-24-norfriedel-4-en-29-oic acid
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