5α-Ergosta-8,14-Dien-3Beta-Ol

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Formula C28H46O
IUPAC Name (3s,5s,10s,13r,17r)-10,13-dimethyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,11,12,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 398.664 g·mol−1
Heat of Formation -473.8 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 557.92 Å 3
Surface Area 428.94 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,10s,13r,17r)-10,13-dimethyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,11,12,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,10s,13r,17r)-17-[(2r,5s)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • ignosterol
CAS Number(s)
  • 23839-47-6
InChIKey ZWTGNSZOWCZDDE-BNYLYJPMSA-N
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