Chem
J-GLOBAL ID：200907034388178681   Nikkaji number：J1.537.858A

Cordianal C

コルジアナールC
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/c1-17-18(2)24(33)25(34)30(16-31)15-14-28(6)19(23(17)30)8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-29(21,28)7/h8,16-18,20-25,32-34H,9-15H2,1-7H3/t17-,18-,20-,21+,22-,23-,24+,25+,27-,28+,29+,30-/m0/s1
InChI key： DFZQDEPGEMFDMJ-XZUFADRLSA-N
SMILES： C[C@H]1[C@H](C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C=O)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 3β,21β,22β-トリヒドロキシウルサ-12-エン-28-アール
  • (1R,2S,3R,4S,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-3,4,10-トリヒドロキシ-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-カルバルデヒド
  • (1R,2S,3R,4S,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-3,4,10-trihydroxy-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-carbaldehyde
Other name (3)：
  • 3β,21β,22β-Trihydroxyurs-12-ene-28-al
  • コルジアナールC
  • Cordianal C
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