Chem
J-GLOBAL ID：200907016614976385
Nikkaji number：J1.906.662B
(3S)-3α-Isopropenyl-4α-ethynyl-8-methyl-3,4-dihydro-2H-1-benzopyran
(3S)-3α-イソプロペニル-4α-エチニル-8-メチル-3,4-ジヒドロ-2H-1-ベンゾピラン
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： C15H16O
Molecular formula furigana： C15-H16-O
Molecular weight： 212.292
InChI：
InChI=1S/C15H16O/c1-5-12-13-8-6-7-11(4)15(13)16-9-14(12)10(2)3/h1,6-8,12,14H,2,9H2,3-4H3/t12-,14-/m1/s1
InChI key：
QOHJFIFMSLMCOO-TZMCWYRMSA-N
SMILES：
CC(=C)[C@H]1COc2c(C)cccc2[C@H]1C#C
Systematic name (3)：
- (3S)-3α-イソプロペニル-4α-エチニル-8-メチル-3,4-ジヒドロ-2H-1-ベンゾピラン
- (3S,4R)-4-エチニル-8-メチル-3-(プロパ-1-エン-2-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン
- (3S,4R)-4-ethynyl-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2H-1-benzopyran
- (3S)-3α-Isopropenyl-4α-ethynyl-8-methyl-3,4-dihydro-2H-1-benzopyran
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