Chem
J-GLOBAL ID：200907009563891260   Nikkaji number：J758.532B

3β,13-Dihydroxyurs-11-en-28-oic acid

3β,13-ジヒドロキシウルサ-11-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/c1-18-8-14-29(24(32)33)17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,34)23(29)19(18)2/h10,15,18-23,31,34H,8-9,11-14,16-17H2,1-7H3,(H,32,33)/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1
InChI key： APGMOSJLBDURNK-RUOWOPRNSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@@]3(C)[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4C=C[C@]3(O)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (3)：
  • 3β,13-ジヒドロキシウルサ-11-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aS,12bR,14aS,14bR)-10,14a-ジヒドロキシ-1,2,6a,6b,9,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,14a,14b-イコサヒドロピセン-4a-カルボン酸
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aS,12bR,14aS,14bR)-10,14a-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,14a,14b-icosahydropicene-4a-carboxylic acid
Other name (1)：
  • 3β,13-Dihydroxyurs-11-en-28-oic acid
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