(5α)-Ergosta-1,24(28)-Dien-3-One

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Properties Simple | Detailed

Formula C28H44O
IUPAC Name (5s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 396.648 g·mol−1
Heat of Formation -378.5 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 551.26 Å 3
Surface Area 427.53 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methyl-5-methylidene-heptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (5s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methyl-5-methylideneheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (5s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (5s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethyl-4-methylenehexyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (5s,8s,9s,10r,13r,14s,17r)-17-[(1r)-4-isopropyl-1-methyl-pent-4-enyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKey KPTGMDRVLSGBME-GWEYPQJLSA-N
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