(3β,5Alpha,22S,24R)-Ergostane-3,22-Diol

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Properties Simple | Detailed

Formula C28H50O2
IUPAC Name (3s,5s,8r,9s,10s,13s,14s,17r)-17-[(1s,2s,4r)-2-hydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 418.695 g·mol−1
Heat of Formation -818.5 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 583.11 Å 3
Surface Area 438.18 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 2.95 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13s,14s,17r)-17-[(1s,2s,4r)-2-hydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,8r,9s,10s,13s,14s,17r)-17-[(1s,2s,4r)-2-hydroxy-1,4,5-trimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,8r,9s,10s,13s,14s,17r)-17-[(2s,3s,5r)-3-hydroxy-5,6-dimethyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,8r,9s,10s,13s,14s,17r)-17-[(2s,3s,5r)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • campestan-3beta,22r-diol
  • lmst01030124
InChIKey ZHZKWZJLUNXOSN-YUZBOUAZSA-N
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