27-Norergosta-5,22,25-Trien-3-Ol, 25-Ethyl-, (3β,22E,24R)-

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Properties Simple | Detailed

Formula C29H46O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(e,1r,4r)-1,4-dimethyl-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 410.675 g·mol−1
Heat of Formation -375.6 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 572.81 Å 3
Surface Area 444.26 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (22e,24r)-24,26-dimethylcholesta-5,22,25(27)-trien-3beta-ol
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(e,2r,5r)-5-methyl-6-methylidene-oct-3-en-2-yl]-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)-10,13-dimethyl-17-[(e,2r,5r)-5-methyl-6-methylideneoct-3-en-2-yl]-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-[(1r,2e,4r)-5-ethyl-1,4-dimethyl-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)-1,4-dimethyl-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)-1,4-dimethyl-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
  • dmc-tbo
CAS Number(s)
  • 80525-47-9
InChIKey DTZHHGIOBLSKDR-PHZDYDNGSA-N
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