Chem
J-GLOBAL ID：200907016166671551   Nikkaji number：J342.361A

Calane (pharmaceutical)

カラン【医薬】
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： C27H50
Molecular formula furigana： C27-H50
Molecular weight： 374.697
InChI： InChI=1S/C27H50/c1-20(2)10-8-12-22(4)25-17-18-26-24(14-9-19-27(25,26)5)16-15-23-13-7-6-11-21(23)3/h20-26H,6-19H2,1-5H3/t21-,22-,23?,24+,25-,26+,27-/m1/s1
InChI key： PKFBFLVHGJFJQR-DFKMZBEZSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCC3CCCC[C@H]3C)CCC[C@]12C
Systematic name  (3)：
  • 9,10-セココレスタン
  • (1R,3aS,4S,7aR)-7a-メチル-4-{2-[(2R)-2-メチルシクロヘキシル]エチル}-1-[(2R)-6-メチルヘプタン-2-イル]-オクタヒドロ-1H-インデン
  • (1R,3aS,4S,7aR)-7a-methyl-4-{2-[(2R)-2-methylcyclohexyl]ethyl}-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-indene
Other name (5)：
  • カラン【医薬】
  • Calane
  • Calan
  • 9,10-Secocholestane
  • Calane【pharmaceutical】
CAS registry number： 36676-08-1
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