Chem
J-GLOBAL ID：200907002257282476   Nikkaji number：J111.432H

(1S)-1,2,3,4,4a,9,10,10aβ-Octahydro-1,4aβ-dimethyl-1β-phenanthrenecarboxylic acid

(1S)-1,2,3,4,4a,9,10,10aβ-オクタヒドロ-1,4aβ-ジメチル-1β-フェナントレンカルボン酸
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： C17H22O2
Molecular formula furigana： C17-H22-O2
Molecular weight： 258.361
InChI： InChI=1S/C17H22O2/c1-16-10-5-11-17(2,15(18)19)14(16)9-8-12-6-3-4-7-13(12)16/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,18,19)/t14-,16+,17-/m0/s1
InChI key： AWKGAVJHWWZEMY-UAGQMJEPSA-N
SMILES： C[C@@]1(CCC[C@@]2(C)[C@@H]1CCc1ccccc21)C(=O)O
Systematic name  (3)：
  • (1S)-1,2,3,4,4a,9,10,10aβ-オクタヒドロ-1,4aβ-ジメチル-1β-フェナントレンカルボン酸
  • (1S,4aS,10aS)-1,4a-ジメチル-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-1-カルボン酸
  • (1S,4aS,10aS)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Other name (1)：
  • (1S)-1,2,3,4,4a,9,10,10aβ-Octahydro-1,4aβ-dimethyl-1β-phenanthrenecarboxylic acid
CAS registry number： 57345-30-9
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