(3β,5Alpha,24R)-3-Hydroxyergostan-6-One

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Properties Simple | Detailed

Formula C28H48O2
IUPAC Name (3s,5s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(1r,4r)-1,4,5-trimethylhexyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Molecular Mass 416.680 g·mol−1
Heat of Formation -763.7 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 572.32 Å 3
Surface Area 441.72 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8s,9s,10r,13r,14s,17r)-17-[(2r,5r)-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
  • (3s,5s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(1r,4r)-1,4,5-trimethylhexyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
  • 6-oxo-campestan-3beta-ol
  • lmst01030133
InChIKey NBJZGNFIZZWBOJ-JSHJXQBASA-N
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