Chem
J-GLOBAL ID：200907097436531498   Nikkaji number：J1.108.683G

3-Deoxyaphidicolin

3-デオキシアフィジコリン
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： C20H34O3
Molecular formula furigana： C20-H34-O3
Molecular weight： 322.489
InChI： InChI=1S/C20H34O3/c1-17(12-21)6-3-7-18(2)16(17)5-4-14-10-15-11-19(14,18)8-9-20(15,23)13-22/h14-16,21-23H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1
InChI key： VHWTVINEPPOCLA-DTMQFJJTSA-N
SMILES： C[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO
Systematic name  (4)：
  • 4-メチル-17α-ヒドロキシ-9,15-シクロ-C,18-ジノル-14,15-セコ-5α-アンドロスタン-4α,17-ジメタノール
  • (4R,4aR,6aS,8R,9R,11aS,11bS)-テトラデカヒドロ-9-ヒドロキシ-4,11b-ジメチル-8,11a-メタノ-11aH-シクロヘプタ[a]ナフタレン-4,9-ジメタノール
  • (1S,2S,6R,7R,10S,12R,13R)-6,13-ビス(ヒドロキシメチル)-2,6-ジメチルテトラシクロ[10.3.1.01,10.02,7]ヘキサデカン-13-オール
  • (1S,2S,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
Other name (4)：
  • 4-Methyl-17α-hydroxy-9,15-cyclo-C,18-dinor-14,15-seco-5α-androstane-4α,17-dimethanol
  • (4R,4aR,6aS,8R,9R,11aS,11bS)-Tetradecahydro-9-hydroxy-4,11b-dimethyl-8,11a-methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol
  • 3-デオキシアフィジコリン
  • 3-Deoxyaphidicolin
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