(3β,5Alpha,6β,22E,24R)-Ergosta-7,22,25-Triene-3,5,6-Triol

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Formula C28H44O3
IUPAC Name (3s,5r,6r,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(1r,2e,4r)-1,4,5-trimethylhexa-2,5-dienyl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Molecular Mass 428.647 g·mol−1
Heat of Formation -707.8 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 570.89 Å 3
Surface Area 438.26 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,6r,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(1r,2e,4r)-1,4,5-trimethylhexa-2,5-dienyl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
  • (3s,5r,6r,9s,10r,13r,14r,17r)-17-[(2r,3e,5r)-5,6-dimethylhepta-3,6-dien-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
  • biemnasterol
  • ergosta-7,22,25-triene-3,5,6-triol, (3beta,5alpha,6beta,22e,24r)-
CAS Number(s)
  • 153229-20-0
InChIKey IBFQWGIEQHTWFU-LYHJVHLQSA-N
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