7-Dehydrositosterol

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Properties Simple | Detailed

Formula C29H48O
IUPAC Name (3s,9s,10r,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 412.691 g·mol−1
Heat of Formation -469.2 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 575.21 Å 3
Surface Area 440.85 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,9s,10r,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9s,10r,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9s,10r,13r,14r,17r)-17-[(2r,5r)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9s,10r,13r,14r,17r)-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
InChIKey ARVGMISWLZPBCH-XHVHEOSNSA-N
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