Chem
J-GLOBAL ID：200907086212662374
Nikkaji number：J1.063.120C
1β-Ethenyl-3α-(3-hydroxy-4-methoxybenzyl)-7-methylene-1,2,3,3aα,7,7aβ-hexahydro-4H-indene-4-one
1β-エテニル-3α-(3-ヒドロキシ-4-メトキシベンジル)-7-メチレン-1,2,3,3aα,7,7aβ-ヘキサヒドロ-4H-インデン-4-オン
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： C20H22O3
Molecular formula furigana： C20-H22-O3
Molecular weight： 310.393
InChI：
InChI=1S/C20H22O3/c1-4-14-11-15(20-16(21)7-5-12(2)19(14)20)9-13-6-8-18(23-3)17(22)10-13/h4-8,10,14-15,19-20,22H,1-2,9,11H2,3H3/t14-,15-,19+,20-/m0/s1
InChI key：
ODHHTIYRUDURPW-QPAVJXABSA-N
SMILES：
COc1ccc(C[C@H]2C[C@H](C=C)[C@@H]3[C@@H]2C(=O)C=CC3=C)cc1O
Systematic name (4)：
- 1β-エテニル-3α-(3-ヒドロキシ-4-メトキシベンジル)-7-メチレン-1,2,3,3aα,7,7aβ-ヘキサヒドロ-4H-インデン-4-オン
- (1R)-1β-ビニル-3α-(3-ヒドロキシ-4-メトキシベンジル)-7-メチレン-2,3,3aα,4,7,7aβ-ヘキサヒドロ-1H-インデン-4-オン
- (1R,3R,3aR,7aR)-1-エテニル-3-[(3-ヒドロキシ-4-メトキシフェニル)メチル]-7-メチリデン-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インデン-4-オン
- (1R,3R,3aR,7aR)-1-ethenyl-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methylidene-2,3,3a,4,7,7a-hexahydro-1H-inden-4-one
- 1β-Ethenyl-3α-(3-hydroxy-4-methoxybenzyl)-7-methylene-1,2,3,3aα,7,7aβ-hexahydro-4H-indene-4-one
- (1R)-1β-Vinyl-3α-(3-hydroxy-4-methoxybenzyl)-7-methylene-2,3,3aα,4,7,7aβ-hexahydro-1H-indene-4-one
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