4α-Methyl-5α-Ergosta-8,24(28)-Dien-3Beta-Ol

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Properties Simple | Detailed

Formula C29H48O
IUPAC Name (3s,4s,5s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethyl-4-methylene-hexyl]-4,10,13-trimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 412.691 g·mol−1
Heat of Formation -479.3 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 584.43 Å 3
Surface Area 447.26 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,4alpha,5alpha)-4-methylergosta-8,24(28)-dien-3-ol
  • (3s,4s,5s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethyl-4-methylene-hexyl]-4,10,13-trimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,4s,5s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethyl-4-methylenehexyl]-4,10,13-trimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,4s,5s,10s,13r,14r,17r)-17-[(1r)-4-isopropyl-1-methyl-pent-4-enyl]-4,10,13-trimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,4s,5s,10s,13r,14r,17r)-4,10,13-trimethyl-17-[(2r)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,4s,5s,10s,13r,14r,17r)-4,10,13-trimethyl-17-[(2r)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 4alpha-methylfecosterol
CAS Number(s)
  • 17757-07-2
InChIKey QLDNWJOJCDIMKK-XLFBYWHPSA-N
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