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1-Cyclohexeno[2,3-b]cholestan-1'-one
SpectraBase Compound ID 2SuVOuc7seO
InChI InChI=1S/C31H50O/c1-20(2)9-8-10-21(3)26-15-16-27-25-14-13-23-19-22-11-6-7-12-24(22)29(32)31(23,5)28(25)17-18-30(26,27)4/h12,20-23,25-28H,6-11,13-19H2,1-5H3
InChIKey CFNNZQCUBAFDRT-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C31H50O
Exact Mass 438.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8NEjKEWVel
Name 1-Cyclohexeno[2,3-b]cholestan-1'-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O
InChI InChI=1S/C31H50O/c1-20(2)9-8-10-21(3)26-15-16-27-25-14-13-23-19-22-11-6-7-12-24(22)29(32)31(23,5)28(25)17-18-30(26,27)4/h12,20-23,25-28H,6-11,13-19H2,1-5H3
InChIKey CFNNZQCUBAFDRT-UHFFFAOYSA-N
Molecular Weight 438.740 g/mol
SMILES C1C=C2C(CC1)CC1C(C2=O)(C2C(CC1)C1C(CC2)(C(CC1)C(CCCC(C)C)C)C)C
SPLASH splash10-03di-3910100000-d6167a7f4ebe24a208b0
Synonyms 1-(1,5-Dimethylhexyl)-11a,13a-dimethyl-1,2,3,3a,3b,4,5,5a,6,6a,7,8,9,11a,11b,12,13,13a-octadecahydro-11H-indeno[5,4-a]anthracen-11-one
Wiley ID 1475082