Chem
J-GLOBAL ID：200907088775435466   Nikkaji number：J10.004H

Segetalic acid

セゲタル酸
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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1
InChI key： FABOBEOYNMHSHB-UAWZMHPWSA-N
SMILES： CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (4)：
  • (4R)-3β,16α,23-トリヒドロキシオレアナ-12-エン-28-酸
  • 3β,16α,23-トリヒドロキシオレアナ-12-エン-28-酸
  • (4aR,5R,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-5,10-ジヒドロキシ-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-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
  • (4aR,5R,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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 (6)：
  • カウロフィロゲニン
  • Caulophyllogenin
  • (4R)-3β,16α,23-Trihydroxyolean-12-en-28-oic acid
  • 3β,16α,23-Trihydroxyoleana-12-ene-28-oic acid
  • セゲタル酸
Show all
CAS registry number： 52936-64-8
Regulation number (1)：
  • EINECS2582655
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