Chem
J-GLOBAL ID：201107009314171557
Nikkaji number：J2.977.444G
Benzoic acid (3aR)-3aα-methyl-3a,4,5,6,7,7aβ-hexahydro-1H-indene-7α-yl ester
安息香酸(3aR)-3aα-メチル-3a,4,5,6,7,7aβ-ヘキサヒドロ-1H-インデン-7α-イル
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
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
Molecular formula： C17H20O2
Molecular formula furigana： C17-H20-O2
Molecular weight： 256.345
InChI：
InChI=1S/C17H20O2/c1-17-11-5-9-14(17)15(10-6-12-17)19-16(18)13-7-3-2-4-8-13/h2-5,7-8,11,14-15H,6,9-10,12H2,1H3/t14-,15-,17-/m0/s1
InChI key：
IDPQCNWKHVWYSS-ZOBUZTSGSA-N
SMILES：
C[C@]12CCC[C@H](OC(=O)c3ccccc3)[C@@H]1CC=C2
Systematic name (3)：
- 安息香酸(3aR)-3aα-メチル-3a,4,5,6,7,7aβ-ヘキサヒドロ-1H-インデン-7α-イル
- (3aR,7S,7aR)-3a-メチル-3a,4,5,6,7,7a-ヘキサヒドロ-1H-インデン-7-イル ベンゾアート
- (3aR,7S,7aR)-3a-methyl-3a,4,5,6,7,7a-hexahydro-1H-inden-7-yl benzoate
- Benzoic acid (3aR)-3aα-methyl-3a,4,5,6,7,7aβ-hexahydro-1H-indene-7α-yl ester
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