3β-Hydroxy-5Alpha-Cholest-8(14),24-Dien-15-One

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Properties Simple | Detailed

Formula C27H42O2
IUPAC Name (3s,5s,9r,10s,13r,17r)-17-[(1r)-1,5-dimethylhex-4-enyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
Molecular Mass 398.621 g·mol−1
Heat of Formation -604.7 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 535.93 Å 3
Surface Area 418.06 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,9r,10s,13r,17r)-17-[(1r)-1,5-dimethylhex-4-enyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
  • (3s,5s,9r,10s,13r,17r)-3-hydroxy-10,13-dimethyl-17-[(2r)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
  • 3-hac-8,24-dien-15-one
  • 3-hydroxycholest-8(14),24-dien-15-one
  • cholesta-8(14),24-dien-15-one, 3-hydroxy-, (3beta,5alpha)-
CAS Number(s)
  • 144535-22-8
InChIKey ZAQVWQHOVZZEEC-GGVPDPBRSA-N
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