Cholesta-4,7-Dien-3-One

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Properties Simple | Detailed

Formula C27H42O
IUPAC Name (9s,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 382.622 g·mol−1
Heat of Formation -381.7 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 526.57 Å 3
Surface Area 415.02 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
  • (9s,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CAS Number(s)
  • 16826-35-0
InChIKey SLFZVVVDTKTSRR-JRFVBUDKSA-N
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