(3B,5A)-Ergostan-3-Ol

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Formula C28H50O
IUPAC Name (3s,5s,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 402.696 g·mol−1
Heat of Formation -633.0 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 570.26 Å 3
Surface Area 435.1 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-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,13r,14s,17r)-17-[(2r,5s)-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
  • lmst01030102
InChIKey ARYTXMNEANMLMU-OZEQXKMUSA-N
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