(2α,3α,5α,22R,23R,24S)-2,3,22,23-Tetrahydroxyergostan-6-One

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Properties Simple | Detailed

Formula C28H48O5
IUPAC Name (2r,3s,5s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r,3r,4s)-2,3-dihydroxy-1,4-dimethyl-hept-6-ynyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Molecular Mass 464.678 g·mol−1
Heat of Formation -1290.2 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 607.41 Å 3
Surface Area 454.69 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r,3r,4s)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
  • (2r,3s,5s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r,3r,4s)-2,3-dihydroxy-1,4,5-trimethylhexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
  • (2r,3s,5s,8s,9s,10r,13s,14s,17r)-17-[(2s,3r,4r,5s)-3,4-dihydroxy-5,6-dimethyl-heptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
  • (2r,3s,5s,8s,9s,10r,13s,14s,17r)-17-[(2s,3r,4r,5s)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
  • 24-epicastasterone
  • 6-oxo-campestan-2alpha,3alpha,22r,23r-tetrol
  • bp 214
  • castasterone
  • ergostan-6-one, 2,3,22,23-tetrahydroxy-, (2alpha,3alpha,5alpha,22r,23r,24s)-
  • ergostan-6-one, 2,3,22,23-tetrahydroxy-, (2alpha,3alpha,5alpha,22r,23r,24s)- (9ci)
  • lmst01030129
CAS Number(s)
  • 80736-41-0
InChIKey VYUIKSFYFRVQLF-YLNAYWRASA-N
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