(3β,5Alpha)-Cholesta-7,9(11)-Dien-3-Ol

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Properties Simple | Detailed

Formula C27H44O
IUPAC Name (3s,5s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 384.638 g·mol−1
Heat of Formation -446.8 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 535.48 Å 3
Surface Area 420.45 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,10s,13r,14r,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • cholesta-7,9(11)-dien-3-ol, (3beta,5alpha)-
  • cholesta-7,9-dien-3-beta-ol
CAS Number(s)
  • 566-96-1
InChIKey MZGLFGZLQGCELA-XTGBIJOFSA-N
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