Chem
J-GLOBAL ID：200907072641664740   Nikkaji number：J608.375G

(6aS)-1-Hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6aα,7,8,9,10,10aβ-hexahydro-6H-dibenzo[b,d]pyran-9α-methanol

(6aS)-1-ヒドロキシ-3-(1,1-ジメチルヘプチル)-6,6-ジメチル-6aα,7,8,9,10,10aβ-ヘキサヒドロ-6H-ジベンゾ[b,d]ピラン-9α-メタノール
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： C25H40O3
Molecular formula furigana： C25-H40-O3
Molecular weight： 388.592
InChI： InChI=1S/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m0/s1
InChI key： MVEVPDCVOXJVBD-IHPCNDPISA-N
SMILES： CCCCCCC(C)(C)c1cc(O)c2[C@H]3C[C@@H](CO)CC[C@@H]3C(C)(C)Oc2c1
Systematic name  (3)：
  • (6aS)-1-ヒドロキシ-3-(1,1-ジメチルヘプチル)-6,6-ジメチル-6aα,7,8,9,10,10aβ-ヘキサヒドロ-6H-ジベンゾ[b,d]ピラン-9α-メタノール
  • (6aS,9S,10aS)-9-(ヒドロキシメチル)-6,6-ジメチル-3-(2-メチルオクタン-2-イル)-6H,6aH,7H,8H,9H,10H,10aH-ベンゾ[c]イソクロメン-1-オール
  • (6aS,9S,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-1-ol
Other name (1)：
  • (6aS)-1-Hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6aα,7,8,9,10,10aβ-hexahydro-6H-dibenzo[b,d]pyran-9α-methanol
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