Chem
J-GLOBAL ID：200907035360705992
Nikkaji number：J2.530.797F
(3aβ,6aβ)-2,2-Dimethyl-5-(4-methoxybenzyl)-6β-(2-oxo-3,3-dimethylbutyl)tetrahydro-5H-1,3-dioxolo[4,5-c]pyrrole-4-one
(3aβ,6aβ)-2,2-ジメチル-5-(4-メトキシベンジル)-6β-(2-オキソ-3,3-ジメチルブチル)テトラヒドロ-5H-1,3-ジオキソロ[4,5-c]ピロール-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： C21H29NO5
Molecular formula furigana： C21-H29-N-O5
Molecular weight： 375.465
InChI：
InChI=1S/C21H29NO5/c1-20(2,3)16(23)11-15-17-18(27-21(4,5)26-17)19(24)22(15)12-13-7-9-14(25-6)10-8-13/h7-10,15,17-18H,11-12H2,1-6H3/t15-,17-,18-/m0/s1
InChI key：
WOBHTKQVVZGEEZ-SZMVWBNQSA-N
SMILES：
COc1ccc(CN2[C@@H](CC(=O)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]3C2=O)cc1
Systematic name (3)：
- (3aβ,6aβ)-2,2-ジメチル-5-(4-メトキシベンジル)-6β-(2-オキソ-3,3-ジメチルブチル)テトラヒドロ-5H-1,3-ジオキソロ[4,5-c]ピロール-4-オン
- (3aS,6S,6aS)-6-(3,3-ジメチル-2-オキソブチル)-5-[(4-メトキシフェニル)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]ピロール-4-オン
- (3aS,6S,6aS)-6-(3,3-dimethyl-2-oxobutyl)-5-[(4-methoxyphenyl)methyl]-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyrrol-4-one
- (3aβ,6aβ)-2,2-Dimethyl-5-(4-methoxybenzyl)-6β-(2-oxo-3,3-dimethylbutyl)tetrahydro-5H-1,3-dioxolo[4,5-c]pyrrole-4-one
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