Chem
J-GLOBAL ID：200907085434499050   Nikkaji number：J1.854.789I

3β,27-Dihydroxyurs-12-ene-28-oic acid

3β,27-ジヒドロキシウルサ-12-エン-28-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/c1-18-9-14-29(25(33)34)15-16-30(17-31)20(24(29)19(18)2)7-8-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,30)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21+,22-,23+,24+,27+,28-,29+,30+/m1/s1
InChI key： YBQHMGFOAOJZCG-PDGODTHUSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(CO)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (3)：
  • 3β,27-ジヒドロキシウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-ヒドロキシ-6a-(ヒドロキシメチル)-1,2,6b,9,9,12a-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
  • (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-6a-(hydroxymethyl)-1,2,6b,9,9,12a-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 (1)：
  • 3β,27-Dihydroxyurs-12-ene-28-oic acid
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