Chem
J-GLOBAL ID：200907002659729825   Nikkaji number：J2.090.069E

Erinacol

エリナコール
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： C20H32O
Molecular formula furigana： C20-H32-O
Molecular weight： 288.475
InChI： InChI=1S/C20H32O/c1-13(2)15-8-9-19(4)10-11-20(5)16(18(15)19)7-6-14(3)12-17(20)21/h12-13,16-17,21H,6-11H2,1-5H3/t16-,17+,19-,20-/m1/s1
InChI key： ZTGGPQBJLZKPHO-PIKOESSRSA-N
SMILES： CC(C)C1=C2[C@H]3CCC(=C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1)C
Systematic name  (3)：
  • (3aR)-1-イソプロピル-3aβ,5aα,8-トリメチル-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン-6β-オール
  • (3aR,5aR,6S,10aR)-3a,5a,8-トリメチル-1-(プロパン-2-イル)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-シクロヘプタ[e]インデン-6-オール
  • (3aR,5aR,6S,10aR)-3a,5a,8-trimethyl-1-(propan-2-yl)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-cyclohepta[e]inden-6-ol
Other name (3)：
  • (3aR)-1-Isopropyl-3aβ,5aα,8-trimethyl-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene-6β-ol
  • エリナコール
  • Erinacol
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