Ergosterol

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Properties Simple | Detailed

Formula C28H44O
IUPAC Name (3s,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 396.648 g·mol−1
Heat of Formation -362.7 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 551.95 Å 3
Surface Area 431.35 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (22e)-ergosta-5,7,22-trien-3.beta.-ol
  • (22e)-ergosta-5,7,22-trien-3beta-ol
  • (22e,24s)-24-methylcholesta-5,7,22-trien-3beta-ol
  • (3s,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9s,10r,13r,14r,17r)-17-[(e,2r,5r)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 3beta-hydroxy-5,7,22-ergostatriene
  • 5,7,22-ergostatrien-3beta-ol
  • acon0_000429
  • acon1_000637
  • erg
  • ergosta-5,7,22e-trien-3beta-ol
  • lmst01030093
  • megxm0_000450
  • provitamin d2
CAS Number(s)
  • 57-87-4
InChIKey DNVPQKQSNYMLRS-APGDWVJJSA-N
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