Chem
J-GLOBAL ID：200907093022416012   Nikkaji number：J1.537.856E

Cordianal A

コルジアナールA
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： C32H48O5
Molecular formula furigana： C32-H48-O5
Molecular weight： 512.731
InChI： InChI=1S/C32H48O5/c1-18-19(2)26(37-20(3)34)27(36)32(17-33)16-15-30(7)21(25(18)32)9-10-23-29(6)13-12-24(35)28(4,5)22(29)11-14-31(23,30)8/h9,17-19,22-23,25-27,36H,10-16H2,1-8H3/t18-,19-,22-,23+,25-,26+,27+,29-,30+,31+,32-/m0/s1
InChI key： XLSJRKQGYHXWDD-VDQUZDDISA-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]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C=O)[C@H](O)[C@@H]1OC(=O)C
Systematic name  (3)：
  • 3-オキソ-21β-アセトキシ-22β-ヒドロキシウルサ-12-エン-28-アール
  • (1R,2S,3R,4S,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-4a-ホルミル-4-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-3-イル アセタート
  • (1R,2S,3R,4S,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-4a-formyl-4-hydroxy-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-3-yl acetate
Other name (3)：
  • 3-Oxo-21β-acetoxy-22β-hydroxyurs-12-ene-28-al
  • コルジアナールA
  • Cordianal A
Thsaurus map：
Thesaurus Map

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