(5α,22E)-Cholesta-1,22-Dien-3-One

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Formula C27H42O
IUPAC Name (5s,8s,9s,10r,13r,14s,17r)-17-[(e,1r)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 382.622 g·mol−1
Heat of Formation -365.2 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 527.35 Å 3
Surface Area 418.03 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(e,2r)-6-methylhept-3-en-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (5s,8s,9s,10r,13r,14s,17r)-17-[(e,1r)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKey NMNGXZAVNGFGJR-BHWJTTKVSA-N
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