Chem
J-GLOBAL ID：200907040376914668   Nikkaji number：J2.420.900H

Cheiranthic acid

ケイラント酸
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： C30H46O5
Molecular formula furigana： C30-H46-O5
Molecular weight： 486.693
InChI： InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-27(4)19(24(30)18(17)2)7-8-21-28(27,5)11-10-20-26(3,16-31)22(32)15-23(33)29(20,21)6/h7,17-18,20-22,24,31-32H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20+,21+,22+,24+,26+,27-,28-,29+,30+/m1/s1
InChI key： SIRSUWPEJDNSOZ-HXPMKIGTSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO)[C@@H](O)CC(=O)[C@]43C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (3)：
  • 1-オキソ-3β,23-ジヒドロキシウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aS,9R,10S,12aR,12bS,14bS)-10-ヒドロキシ-9-(ヒドロキシメチル)-1,2,6a,6b,9,12a-ヘキサメチル-12-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボン酸
  • (1S,2R,4aS,6aS,6bR,8aS,9R,10S,12aR,12bS,14bS)-10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-12-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (3)：
  • 1-Oxo-3β,23-dihydroxyurs-12-ene-28-oic acid
  • ケイラント酸
  • Cheiranthic acid
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