Chem
J-GLOBAL ID：200907052948441497   Nikkaji number：J14.871G

Pomolic acid

ポモール酸
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/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1
InChI key： ZZTYPLSBNNGEIS-OPAXANQDSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O
Systematic name  (5)：
  • 3β,19-ジヒドロキシ-5α-ウルサ-12-エン-28-酸
  • 3β,19-ジヒドロキシウルサ-12-エン-28-酸
  • 3β,19α-ジヒドロキシウルサ-12-エン-28-酸
  • (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-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,13,14b-イコサヒドロピセン-4a-カルボン酸
  • (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-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,13,14b-icosahydropicene-4a-carboxylic acid
Other name (8)：
  • ポモル酸
  • ベンタム酸
  • ポモール酸
  • Pomolic acid
  • Benthamic acid
Show all
CAS registry number： 13849-91-7
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