Chem
J-GLOBAL ID：200907083630544362   Nikkaji number：J281.910D

9β,11β-Epoxyfernan

9β,11β-エポキシフェルナン
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： C30H50O
Molecular formula furigana： C30-H50-O
Molecular weight： 426.729
InChI： InChI=1S/C30H50O/c1-19(2)20-10-11-22-26(20,5)16-17-27(6)23-13-12-21-25(3,4)14-9-15-28(21,7)30(23)24(31-30)18-29(22,27)8/h19-24H,9-18H2,1-8H3/t20-,21+,22-,23-,24+,26-,27-,28+,29+,30-/m1/s1
InChI key： IGKBLEWOHNKDGR-LGZDUZPHSA-N
SMILES： CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@]43O[C@H]4C[C@@]21C
Systematic name  (3)：
  • 9β,11β-エポキシフェルナン
  • (1S,3S,5S,6R,9R,10R,13R,14R,17S,22S)-5,10,13,18,18,22-ヘキサメチル-9-(プロパン-2-イル)-2-オキサヘキサシクロ[12.8.0.01,3.05,13.06,10.017,22]ドコサン
  • (1S,3S,5S,6R,9R,10R,13R,14R,17S,22S)-5,10,13,18,18,22-hexamethyl-9-(propan-2-yl)-2-oxahexacyclo[12.8.0.01,3.05,13.06,10.017,22]docosane
Other name (1)：
  • 9β,11β-Epoxyfernan
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