Chem
J-GLOBAL ID：200907049051398172
Nikkaji number：J2.725.240K
(3S,4S,5R,7S)-3,7-Epoxy-4,5-(isopropylidenedioxy)-8-(4-methoxybenzyloxy)octanoic acid ethyl ester
(3S,4S,5R,7S)-3,7-エポキシ-4,5-(イソプロピリデンジオキシ)-8-(4-メトキシベンジルオキシ)オクタン酸エチル
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： C21H30O7
Molecular formula furigana： C21-H30-O7
Molecular weight： 394.464
InChI：
InChI=1S/C21H30O7/c1-5-25-19(22)11-17-20-18(27-21(2,3)28-20)10-16(26-17)13-24-12-14-6-8-15(23-4)9-7-14/h6-9,16-18,20H,5,10-13H2,1-4H3/t16-,17-,18+,20-/m0/s1
InChI key：
KSJQPUXQXVRHGB-GNBUJSLZSA-N
SMILES：
CCOC(=O)C[C@@H]1O[C@H](COCc2ccc(OC)cc2)C[C@H]2OC(C)(C)O[C@@H]12
Systematic name (3)：
- (3S,4S,5R,7S)-3,7-エポキシ-4,5-(イソプロピリデンジオキシ)-8-(4-メトキシベンジルオキシ)オクタン酸エチル
- エチル 2-[(3aS,4S,6S,7aR)-6-{[(4-メトキシフェニル)メトキシ]メチル}-2,2-ジメチル-ヘキサヒドロ-[1,3]ジオキソロ[4,5-c]ピラン-4-イル]アセタート
- ethyl 2-[(3aS,4S,6S,7aR)-6-{[(4-methoxyphenyl)methoxy]methyl}-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]acetate
- (3S,4S,5R,7S)-3,7-Epoxy-4,5-(isopropylidenedioxy)-8-(4-methoxybenzyloxy)octanoic acid ethyl ester
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