5α-Stigmast-7-En-3Beta-Ol

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Properties Simple | Detailed

Formula C29H50O
IUPAC Name (3s,5s,9r,10s,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 414.707 g·mol−1
Heat of Formation -569.9 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 585.71 Å 3
Surface Area 439.01 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,9r,10s,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,9r,10s,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,9r,10s,13r,14r,17r)-17-[(2r,5r)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,9r,10s,13r,14r,17r)-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • lmst01040133
  • schottenol
CAS Number(s)
  • 521-03-9
InChIKey YSKVBPGQYRAUQO-UZSYLJJSSA-N
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