Chem
J-GLOBAL ID：200907075731678219   Nikkaji number：J2.158.664A

Oleanderic acid

オレアンデル酸
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： C30H48O4
Molecular formula furigana： C30-H48-O4
Molecular weight： 472.710
InChI： InChI=1S/C30H48O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h15,17-23,31,34H,8-14,16H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,22+,23+,26+,27-,28-,29-,30-/m1/s1
InChI key： WMHFQGOQPCAZEI-XOVAVQBPSA-N
SMILES： C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(C=C[C@@]1(C)O)C(=O)O
Systematic name  (3)：
  • (20R)-3β,20-ジヒドロキシウルサ-21-エン-28-酸
  • (1R,2R,4aR,6aR,6bR,8aR,10S,12aR,12bR,14aR,14bR)-2,10-ジヒドロキシ-1,2,6a,6b,9,9,12a-ヘプタメチル-1,2,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-イコサヒドロピセン-4a-カルボン酸
  • (1R,2R,4aR,6aR,6bR,8aR,10S,12aR,12bR,14aR,14bR)-2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene-4a-carboxylic acid
Other name (3)：
  • (20R)-3β,20-Dihydroxyurs-21-ene-28-oic acid
  • Oleanderic acid
  • オレアンデル酸
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