Chem
J-GLOBAL ID：201007008562285590   Nikkaji number：J2.862.468I

1β-[(4,6,6-Trimethyl-5-methylene-1,3-cyclohexadiene-1-yl)carbonyl]-2α-(hydroxymethyl)-2-methylcyclohexane-3β-ol

1β-[(4,6,6-トリメチル-5-メチレン-1,3-シクロヘキサジエン-1-イル)カルボニル]-2α-(ヒドロキシメチル)-2-メチルシクロヘキサン-3β-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： C19H28O3
Molecular formula furigana： C19-H28-O3
Molecular weight： 304.430
InChI： InChI=1S/C19H28O3/c1-12-9-10-14(18(3,4)13(12)2)17(22)15-7-6-8-16(21)19(15,5)11-20/h9-10,15-16,20-21H,2,6-8,11H2,1,3-5H3/t15-,16-,19-/m0/s1
InChI key： ISQHEXAPFAFEIH-BXWFABGCSA-N
SMILES： CC1=CC=C(C(=O)[C@@H]2CCC[C@H](O)[C@@]2(C)CO)C(C)(C)C1=C
Systematic name  (3)：
  • 1β-[(4,6,6-トリメチル-5-メチレン-1,3-シクロヘキサジエン-1-イル)カルボニル]-2α-(ヒドロキシメチル)-2-メチルシクロヘキサン-3β-オール
  • (1S,2R,3R)-2-(ヒドロキシメチル)-2-メチル-3-(4,6,6-トリメチル-5-メチリデンシクロヘキサ-1,3-ジエン-1-カルボニル)シクロヘキサン-1-オール
  • (1S,2R,3R)-2-(hydroxymethyl)-2-methyl-3-(4,6,6-trimethyl-5-methylidenecyclohexa-1,3-diene-1-carbonyl)cyclohexan-1-ol
Other name (1)：
  • 1β-[(4,6,6-Trimethyl-5-methylene-1,3-cyclohexadiene-1-yl)carbonyl]-2α-(hydroxymethyl)-2-methylcyclohexane-3β-ol
Thsaurus map：
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