Ergosta-8,22-Dien-3-Ol, (3β,5Alpha)-

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Formula C28H46O
IUPAC Name (3s,5s,10s,13r,14r,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 398.664 g·mol−1
Heat of Formation -459.4 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 560.59 Å 3
Surface Area 435.72 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,10s,13r,14r,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,10s,13r,14r,17r)-17-[(e,2r,5r)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • delta-8(9),22-ergostadiene-3beta-ol
CAS Number(s)
  • 6673-68-3
InChIKey NBGSQCOKVDHDGJ-MJXYXNKESA-N
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