Chem
J-GLOBAL ID：200907085983979748   Nikkaji number：J1.333.524I

Dulcioic acid

ズルシン酸
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： C30H48O3
Molecular formula furigana： C30-H48-O3
Molecular weight： 456.711
InChI： InChI=1S/C30H48O3/c1-18-19(25(32)33)10-13-27(4)16-17-29(6)20(24(18)27)8-9-22-28(5)14-12-23(31)26(2,3)21(28)11-15-30(22,29)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24-,27+,28-,29+,30+/m0/s1
InChI key： PSVZSZBQAZPKNI-IEGIENCHSA-N
SMILES： C[C@H]1[C@@H](CC[C@]2(C)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]12)C(=O)O
Systematic name  (3)：
  • 3β-ヒドロキシウルサ-12-エン-30-酸
  • (1R,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-ヒドロキシ-1,4a,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
  • (1R,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,4a,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 (3)：
  • 3β-Hydroxyurs-12-ene-30-oic acid
  • ズルシン酸
  • Dulcioic acid
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