3,5-Cholestadien-7-One

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Properties Simple | Detailed

Formula C27H42O
IUPAC Name (8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Molecular Mass 382.622 g·mol−1
Heat of Formation -368.7 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 526.05 Å 3
Surface Area 413.25 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
  • (8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
  • lmst01010058
InChIKey TTXJJFWWNDJDNR-CZRUWHASSA-N
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