7-Dehydrocholesterol

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Properties Simple | Detailed

Formula C27H44O
IUPAC Name (3s,9s,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 384.638 g·mol−1
Heat of Formation -429.9 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 534.47 Å 3
Surface Area 419.4 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-7-dehydrocholesterol
  • (3s,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-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)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 3beta-hydroxy-5,7-cholestadiene
  • 5,7-cholestadien-3beta-ol
  • cholesta-5,7-dien-3beta-ol
  • lmst01010069
  • provitamin d3
InChIKey UCTLRSWJYQTBFZ-DDPQNLDTSA-N
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