Chem
J-GLOBAL ID：200907018009564329   Nikkaji number：J1.003.613E

1β,2β,19-Trihydroxy-5α-urs-12-ene-28-oic acid

1β,2β,19-トリヒドロキシ-5α-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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-26(4)18(22(30)29(17,7)35)8-9-21-27(26,5)12-11-20-25(2,3)16-19(31)23(32)28(20,21)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21+,22-,23-,26-,27-,28+,29-,30+/m1/s1
InChI key： AMGUDAAZHYHUNZ-UYIFWOCASA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@H](O)CC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O
Systematic name  (3)：
  • 1β,2β,19-トリヒドロキシ-5α-ウルサ-12-エン-28-酸
  • (1R,2R,4aS,6aS,6bR,8aS,11R,12S,12aS,12bS,14bS)-1,11,12-トリヒドロキシ-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,13,14b-イコサヒドロピセン-4a-カルボン酸
  • (1R,2R,4aS,6aS,6bR,8aS,11R,12S,12aS,12bS,14bS)-1,11,12-trihydroxy-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,13,14b-icosahydropicene-4a-carboxylic acid
Other name (1)：
  • 1β,2β,19-Trihydroxy-5α-urs-12-ene-28-oic acid
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