Chem
J-GLOBAL ID：200907080957243030   Nikkaji number：J986.266H

1-Isopropyl-3aβ,5aα-dimethyl-6-oxo-2,3,3a,4,5,5a,6,10aα-octahydrocyclohepta[e]indene-8-carboxylic acid methyl ester

1-イソプロピル-3aβ,5aα-ジメチル-6-オキソ-2,3,3a,4,5,5a,6,10aα-オクタヒドロシクロヘプタ[e]インデン-8-カルボン酸メチル
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： C21H28O3
Molecular formula furigana： C21-H28-O3
Molecular weight： 328.452
InChI： InChI=1S/C21H28O3/c1-13(2)15-8-9-20(3)10-11-21(4)16(18(15)20)7-6-14(12-17(21)22)19(23)24-5/h6-7,12-13,16H,8-11H2,1-5H3/t16-,20+,21+/m0/s1
InChI key： KPASGYIMKRCAKX-ZLGUVYLKSA-N
SMILES： COC(=O)C1=CC(=O)[C@]2(C)CC[C@@]3(C)CCC(=C3[C@@H]2C=C1)C(C)C
Systematic name  (3)：
  • 1-イソプロピル-3aβ,5aα-ジメチル-6-オキソ-2,3,3a,4,5,5a,6,10aα-オクタヒドロシクロヘプタ[e]インデン-8-カルボン酸メチル
  • メチル (3aR,5aR,10aS)-3a,5a-ジメチル-6-オキソ-1-(プロパン-2-イル)-2H,3H,3aH,4H,5H,5aH,6H,10aH-シクロヘプタ[e]インデン-8-カルボキシラート
  • methyl (3aR,5aR,10aS)-3a,5a-dimethyl-6-oxo-1-(propan-2-yl)-2H,3H,3aH,4H,5H,5aH,6H,10aH-cyclohepta[e]indene-8-carboxylate
Other name (1)：
  • 1-Isopropyl-3aβ,5aα-dimethyl-6-oxo-2,3,3a,4,5,5a,6,10aα-octahydrocyclohepta[e]indene-8-carboxylic acid methyl ester
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