Chem
J-GLOBAL ID：200907042437007742
Nikkaji number：J1.202.309J
(3S)-1-Oxo-2,3β-dibenzyl-5α-methyl-2,3,3aα,4,5,7aβ-hexahydro-1H-isoindole-4α-carboxylic acid ethyl ester
(3S)-1-オキソ-2,3β-ジベンジル-5α-メチル-2,3,3aα,4,5,7aβ-ヘキサヒドロ-1H-イソインドール-4α-カルボン酸エチル
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： C26H29NO3
Molecular formula furigana： C26-H29-N-O3
Molecular weight： 403.522
InChI：
InChI=1S/C26H29NO3/c1-3-30-26(29)23-18(2)14-15-21-24(23)22(16-19-10-6-4-7-11-19)27(25(21)28)17-20-12-8-5-9-13-20/h4-15,18,21-24H,3,16-17H2,1-2H3/t18-,21+,22+,23-,24+/m1/s1
InChI key：
PXAIBQVRYUFFEO-XNQICQOHSA-N
SMILES：
CCOC(=O)[C@H]1[C@@H]2[C@H](Cc3ccccc3)N(Cc3ccccc3)C(=O)[C@H]2C=C[C@H]1C
Systematic name (3)：
- (3S)-1-オキソ-2,3β-ジベンジル-5α-メチル-2,3,3aα,4,5,7aβ-ヘキサヒドロ-1H-イソインドール-4α-カルボン酸エチル
- エチル (3S,3aR,4R,5R,7aS)-2,3-ジベンジル-5-メチル-1-オキソ-2,3,3a,4,5,7a-ヘキサヒドロ-1H-イソインドール-4-カルボキシラート
- ethyl (3S,3aR,4R,5R,7aS)-2,3-dibenzyl-5-methyl-1-oxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylate
- (3S)-1-Oxo-2,3β-dibenzyl-5α-methyl-2,3,3aα,4,5,7aβ-hexahydro-1H-isoindole-4α-carboxylic acid ethyl ester
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