Chem
J-GLOBAL ID：200907062737450185   Nikkaji number：J783.258C

3β,22β-Dihydroxyoleana-12-ene-29-oic acid

3β,22β-ジヒドロキシオレアナ-12-エン-29-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/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,26-,27+,28-,29+,30+/m0/s1
InChI key： JTBGJQZJEYVBJZ-FVRJYRSZSA-N
SMILES： CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(=O)O
Systematic name  (4)：
  • (18β)-3β,22β-ジヒドロキシゲルマニカン-12-エン-29-酸
  • 3β,22β-ジヒドロキシオレアナ-12-エン-29-酸
  • (2S,4R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4,10-ジヒドロキシ-2,4a,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-2-カルボン酸
  • (2S,4R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4,10-dihydroxy-2,4a,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-2-carboxylic acid
Other name (2)：
  • (18β)-3β,22β-Dihydroxygermanican-12-en-29-oic acid
  • 3β,22β-Dihydroxyoleana-12-ene-29-oic acid
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