Chem
J-GLOBAL ID：200907005765570567
Nikkaji number：J1.691.089I
(5R)-2,3-Dimethoxy-5-methyl-6α-acetoxy-6,7,8,9-tetrahydro-5H-benzocycloheptene-5β-acrylic acid methyl ester
(5R)-2,3-ジメトキシ-5-メチル-6α-アセトキシ-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン-5β-アクリル酸メチル
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： C20H26O6
Molecular formula furigana： C20-H26-O6
Molecular weight： 362.422
InChI：
InChI=1S/C20H26O6/c1-13(21)26-18-8-6-7-14-11-16(23-3)17(24-4)12-15(14)20(18,2)10-9-19(22)25-5/h9-12,18H,6-8H2,1-5H3/t18-,20-/m1/s1
InChI key：
FLYZAEMIIWLLBA-UYAOXDASSA-N
SMILES：
COC(=O)C=C[C@@]1(C)[C@@H](CCCc2cc(OC)c(OC)cc12)OC(=O)C
Systematic name (3)：
- (5R)-2,3-ジメトキシ-5-メチル-6α-アセトキシ-6,7,8,9-テトラヒドロ-5H-ベンゾシクロヘプテン-5β-アクリル酸メチル
- メチル 3-[(5R,6R)-6-(アセチルオキシ)-2,3-ジメトキシ-5-メチル-6,7,8,9-テトラヒドロ-5H-ベンゾ[7]アンヌレン-5-イル]プロパ-2-エノアート
- methyl 3-[(5R,6R)-6-(acetyloxy)-2,3-dimethoxy-5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]prop-2-enoate
- (5R)-2,3-Dimethoxy-5-methyl-6α-acetoxy-6,7,8,9-tetrahydro-5H-benzocycloheptene-5β-acrylic acid methyl ester
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