(3β)-Ergosta-5,24(28),25-Trien-3-Ol

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Properties Simple | Detailed

Formula C28H44O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethyl-4-methylene-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 396.648 g·mol−1
Heat of Formation -351.3 ± 16.7 kJ·mol−1
Dipole Moment 0.78 ± 1.08 D
Volume 554.74 Å 3
Surface Area 419.72 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methyl-5-methylidene-hept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methyl-5-methylidenehept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethyl-4-methylene-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethyl-4-methylenehex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 5,24,25-egt
CAS Number(s)
  • 102607-76-1
InChIKey ALRMOHDSPKRMGT-PXBBAZSNSA-N
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