Chem
J-GLOBAL ID：200907027081698690   Nikkaji number：J1.537.859J

Cordianone

コルジアノン
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： C32H50O6
Molecular formula furigana： C32-H50-O6
Molecular weight： 530.746
InChI： InChI=1S/C32H50O6/c1-17-18(2)25(36)27(37)32(16-38-19(3)33)14-13-30(7)20(24(17)32)9-10-22-29(6)12-11-23(35)28(4,5)26(29)21(34)15-31(22,30)8/h9,17-18,21-22,24-27,34,36-37H,10-16H2,1-8H3/t17-,18-,21+,22+,24-,25+,26-,27+,29+,30+,31+,32-/m0/s1
InChI key： VOBAGMPXXJJXJW-RSIPRWAKSA-N
SMILES： C[C@H]1[C@H](C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2(COC(=O)C)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 6β,21β,22β-トリヒドロキシ-28-アセトキシウルサ-12-エン-3-オン
  • [(1R,2S,3R,4S,4aR,6aS,6bR,8R,8aR,12aR,12bR,14bS)-3,4,8-トリヒドロキシ-1,2,6a,6b,9,9,12a-ヘプタメチル-10-オキソ-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-イル]メチル アセタート
  • [(1R,2S,3R,4S,4aR,6aS,6bR,8R,8aR,12aR,12bR,14bS)-3,4,8-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl]methyl acetate
Other name (3)：
  • 6β,21β,22β-Trihydroxy-28-acetoxyurs-12-ene-3-one
  • コルジアノン
  • Cordianone
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