Chem
J-GLOBAL ID:200907026408448440   Nikkaji number:J315.231F

(2S)-3-Benzyl-3,4,4aβ,5,6,7,8,8aα-octahydro-4,4,7β-trimethyl-2β-(2-methyl-1-oxopropyl)-2H-1,3-benzoxazine

1-[(2S,4aS,7R,8aR)-3-ベンジル-4,4,7-トリメチル-オクタヒドロ-2H-1,3-ベンゾオキサジン-2-イル]-2-メチルプロパン-1-オン
Substance type:
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
Molecular formula: C22H33NO2
Molecular formula furigana: C22-H33-N-O2
Molecular weight: 343.511
InChI: InChI=1S/C22H33NO2/c1-15(2)20(24)21-23(14-17-9-7-6-8-10-17)22(4,5)18-12-11-16(3)13-19(18)25-21/h6-10,15-16,18-19,21H,11-14H2,1-5H3/t16-,18-,19-,21+/m1/s1
InChI key: XMULJBPTZQXRIU-VELGLUOQSA-N
SMILES: CC(C)C(=O)[C@@H]1O[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)N1Cc1ccccc1
Systematic name  (3):
  • (2S)-3-ベンジル-3,4,4aβ,5,6,7,8,8aα-オクタヒドロ-4,4,7β-トリメチル-2β-(2-メチル-1-オキソプロピル)-2H-1,3-ベンゾオキサジン
  • 1-[(2S,4aS,7R,8aR)-3-ベンジル-4,4,7-トリメチル-オクタヒドロ-2H-1,3-ベンゾオキサジン-2-イル]-2-メチルプロパン-1-オン
  • 1-[(2S,4aS,7R,8aR)-3-benzyl-4,4,7-trimethyl-octahydro-2H-1,3-benzoxazin-2-yl]-2-methylpropan-1-one
Other name (1):
  • (2S)-3-Benzyl-3,4,4aβ,5,6,7,8,8aα-octahydro-4,4,7β-trimethyl-2β-(2-methyl-1-oxopropyl)-2H-1,3-benzoxazine
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