27-Norstigmasta-5,22,25-Trien-3-Ol, 25-Ethyl-, (3β,22E)-

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Properties Simple | Detailed

Formula C30H48O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(e,1r,4r)-4-ethyl-1-methyl-5-methylene-hept-2-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 424.702 g·mol−1
Heat of Formation -402.1 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 597.12 Å 3
Surface Area 462.15 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,2e,4r)-4,5-diethyl-1-methyl-hexa-2,5-dienyl]-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-[(e,1r,4r)-4-ethyl-1-methyl-5-methylene-hept-2-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-[(e,1r,4r)-4-ethyl-1-methyl-5-methylenehept-2-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-[(e,2r,5r)-5-ethyl-6-methylidene-oct-3-en-2-yl]-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-[(e,2r,5r)-5-ethyl-6-methylideneoct-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 26-methylstigmasta-5,22,25(27)-trien-3-ol
  • anoectosterol
CAS Number(s)
  • 159934-00-6
InChIKey SFQXJRUERXRORW-LVVYUBKHSA-N
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