Chem
J-GLOBAL ID：200907073135810760   Nikkaji number：J1.333.523K

Wilforic acid E

ウィルホリン酸E
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： C30H46O5
Molecular formula furigana： C30-H46-O5
Molecular weight： 486.693
InChI： InChI=1S/C30H46O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-21,34H,7-17H2,1-6H3,(H,32,33)/t18-,19+,20+,21-,24-,25-,26-,27-,28+,29+,30-/m1/s1
InChI key： IDWSINSLFUFGJH-JTXWMXAMSA-N
SMILES： C[C@@H]1[C@]23CO[C@@]1(O)C(=O)C[C@H]2[C@]1(C)CC[C@@]2(C)[C@@H]4C[C@@](C)(CC[C@]4(C)CC[C@]2(C)[C@H]1CC3)C(=O)O
Systematic name  (3)：
  • 2-オキソ-3α-ヒドロキシ-3,24-エポキシフリーデラン-29-酸
  • (1R,4S,5R,8S,11R,13R,14S,17R,18S,21R,24R)-21-ヒドロキシ-5,8,11,14,17,24-ヘキサメチル-20-オキソ-22-オキサヘキサシクロ[19.2.1.01,18.04,17.05,14.08,13]テトラコサン-11-カルボン酸
  • (1R,4S,5R,8S,11R,13R,14S,17R,18S,21R,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-20-oxo-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid
Other name (3)：
  • 2-Oxo-3α-hydroxy-3,24-epoxyfriedelane-29-oic acid
  • ウィルホリン酸E
  • Wilforic acid E
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