Chem
J-GLOBAL ID：200907098252014020   Nikkaji number：J1.763.100D

(1S)-3-Oxo-8bβ,1β-(epoxypropano)-1,2,2aβ,3,4,8b-hexahydrocyclobuta[c]quinoline-4-carboxylic acid (1R)-2α-isopropyl-5β-methylcyclohexane-1β-yl ester

(1S)-3-オキソ-8bβ,1β-(エポキシプロパノ)-1,2,2aβ,3,4,8b-ヘキサヒドロシクロブタ[c]キノリン-4-カルボン酸(1R)-2α-イソプロピル-5β-メチルシクロヘキサン-1β-イル
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： C25H33NO4
Molecular formula furigana： C25-H33-N-O4
Molecular weight： 411.542
InChI： InChI=1S/C25H33NO4/c1-15(2)18-11-10-16(3)13-22(18)30-24(28)26-21-9-5-4-8-19(21)25-17(7-6-12-29-25)14-20(25)23(26)27/h4-5,8-9,15-18,20,22H,6-7,10-14H2,1-3H3/t16-,17+,18+,20-,22-,25-/m1/s1
InChI key： IEGGFJLWCAQXGZ-BCCQHBDASA-N
SMILES： CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1C(=O)[C@H]2C[C@@H]3CCCO[C@]23c2ccccc12
Systematic name  (3)：
  • (1S)-3-オキソ-8bβ,1β-(エポキシプロパノ)-1,2,2aβ,3,4,8b-ヘキサヒドロシクロブタ[c]キノリン-4-カルボン酸(1R)-2α-イソプロピル-5β-メチルシクロヘキサン-1β-イル
  • (1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル (1S,10S,12S)-9-オキソ-16-オキサ-8-アザテトラシクロ[8.6.0.01,12.02,7]ヘキサデカ-2,4,6-トリエン-8-カルボキシラート
  • (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl (1S,10S,12S)-9-oxo-16-oxa-8-azatetracyclo[8.6.0.01,12.02,7]hexadeca-2,4,6-triene-8-carboxylate
Other name (1)：
  • (1S)-3-Oxo-8bβ,1β-(epoxypropano)-1,2,2aβ,3,4,8b-hexahydrocyclobuta[c]quinoline-4-carboxylic acid (1R)-2α-isopropyl-5β-methylcyclohexane-1β-yl ester
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