(5β)-Stigmast-7-En-3-One

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Properties Simple | Detailed

Formula C29H48O
IUPAC Name (5r,9r,10s,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 412.691 g·mol−1
Heat of Formation -511.4 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 574.03 Å 3
Surface Area 433.36 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,9r,10s,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (5r,9r,10s,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (5r,9r,10s,13r,14r,17r)-17-[(2r,5r)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (5r,9r,10s,13r,14r,17r)-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 22,23-dihydrospinasterone
CAS Number(s)
  • 137567-08-9
InChIKey JWANJDUXWSJWER-QEHLSLKGSA-N
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