Chem
J-GLOBAL ID：200907030182317035   Nikkaji number：J491.772C

3-(1,1-Dimethylheptyl)-6,6-dimethyl-9-hydroxymethyl-6aβ,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol

3-(1,1-ジメチルヘプチル)-6,6-ジメチル-9-ヒドロキシメチル-6aβ,7,10,10a-テトラヒドロ-6H-ジベンゾ[b,d]ピラン-1-オール
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： C25H38O3
Molecular formula furigana： C25-H38-O3
Molecular weight： 386.576
InChI： InChI=1S/C25H38O3/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/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
InChI key： SSQJFGMEZBFMNV-GFOWMXPYSA-N
SMILES： CCCCCCC(C)(C)c1cc(O)c2C3CC(=CC[C@H]3C(C)(C)Oc2c1)CO
Systematic name  (3)：
  • 3-(1,1-ジメチルヘプチル)-6,6-ジメチル-9-ヒドロキシメチル-6aβ,7,10,10a-テトラヒドロ-6H-ジベンゾ[b,d]ピラン-1-オール
  • (6aR)-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,10H,10aH-ベンゾ[c]イソクロメン-1-オール
  • (6aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6H,6aH,7H,10H,10aH-benzo[c]isochromen-1-ol
Other name (1)：
  • 3-(1,1-Dimethylheptyl)-6,6-dimethyl-9-hydroxymethyl-6aβ,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
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