Chem
J-GLOBAL ID:200907016258591643   Nikkaji number:J2.160.587E

(3aS)-3,3-Dimethyl-3aβ-[2-(methylamino)ethyl]-6,6,7-trimethoxy-2,3,3a,4,5,6-hexahydro-1H-indene-5-one

(3aS)-6,6,7-トリメトキシ-3,3-ジメチル-3a-[2-(メチルアミノ)エチル]-2,3,3a,4,5,6-ヘキサヒドロ-1H-インデン-5-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: C17H29NO4
Molecular formula furigana: C17-H29-N-O4
Molecular weight: 311.422
InChI: InChI=1S/C17H29NO4/c1-15(2)8-7-12-14(20-4)17(21-5,22-6)13(19)11-16(12,15)9-10-18-3/h18H,7-11H2,1-6H3/t16-/m1/s1
InChI key: KVNNMFRJULZRQN-MRXNPFEDSA-N
SMILES: CNCC[C@@]12CC(=O)C(OC)(OC)C(=C1CCC2(C)C)OC
Systematic name  (3):
  • (3aS)-3,3-ジメチル-3aβ-[2-(メチルアミノ)エチル]-6,6,7-トリメトキシ-2,3,3a,4,5,6-ヘキサヒドロ-1H-インデン-5-オン
  • (3aS)-6,6,7-トリメトキシ-3,3-ジメチル-3a-[2-(メチルアミノ)エチル]-2,3,3a,4,5,6-ヘキサヒドロ-1H-インデン-5-オン
  • (3aS)-6,6,7-trimethoxy-3,3-dimethyl-3a-[2-(methylamino)ethyl]-2,3,3a,4,5,6-hexahydro-1H-inden-5-one
Other name (1):
  • (3aS)-3,3-Dimethyl-3aβ-[2-(methylamino)ethyl]-6,6,7-trimethoxy-2,3,3a,4,5,6-hexahydro-1H-indene-5-one
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