Chem
J-GLOBAL ID：200907087663032257   Nikkaji number：J758.381H

Pulsatillic acid

プルサチル酸
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： C30H46O4
Molecular formula furigana： C30-H46-O4
Molecular weight： 470.694
InChI： InChI=1S/C30H46O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-22,24,31H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,24+,26-,27-,28+,29+,30-/m0/s1
InChI key： FRBHXYYJMYBCSK-SECHYRITSA-N
SMILES： CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
Systematic name  (3)：
  • 23-ヒドロキシ-3-オキソルパ-20(29)-エン-28-酸
  • (1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bR)-8-(ヒドロキシメチル)-5a,5b,8,11a-テトラメチル-9-オキソ-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-3a-カルボン酸
  • (1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Other name (5)：
  • プルサチル酸
  • Pulsatillic acid
  • 23-Hydroxy-3-oxolup-20(29)-en-28-oic acid
  • 3-オキソ-23-ヒドロキシベツリン酸
  • 3-Oxo-23-hydroxybetulinic acid
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