Chem
J-GLOBAL ID：200907096094332491   Nikkaji number：J1.493.485E

Baynol B 12-acetate

バイノールB12-アセタート
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： C17H28O4
Molecular formula furigana： C17-H28-O4
Molecular weight： 296.407
InChI： InChI=1S/C17H28O4/c1-7-16(5)9-8-13(15(19)14(16)11(2)3)17(6,20)10-21-12(4)18/h7,13-15,19-20H,1-2,8-10H2,3-6H3/t13-,14?,15+,16-,17?/m1/s1
InChI key： CWMCLRIMQGGWNX-SFOJROILSA-N
SMILES： CC(=O)OCC(C)(O)[C@@H]1CC[C@@](C)(C=C)C([C@H]1O)C(=C)C
Systematic name  (3)：
  • 酢酸2-[[(1R)-2α-ヒドロキシ-3-イソプロペニル-4α-ビニル-4-メチルシクロヘキサン]-1β-イル]-2-ヒドロキシプロピル
  • 2-[(1R,2R,4S)-4-エテニル-2-ヒドロキシ-4-メチル-3-(プロパ-1-エン-2-イル)シクロヘキシル]-2-ヒドロキシプロピル アセタート
  • 2-[(1R,2R,4S)-4-ethenyl-2-hydroxy-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]-2-hydroxypropyl acetate
Other name (3)：
  • Acetic acid 2-[[(1R)-2α-hydroxy-3-isopropenyl-4α-vinyl-4-methylcyclohexane]-1β-yl]-2-hydroxypropyl ester
  • Baynol B 12-acetate
  • バイノールB12-アセタート
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