(3β,8Alpha,9β,14β,22E)-Stigmasta-5,22-Dien-3-Ol

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Properties Simple | Detailed

Formula C29H48O
IUPAC Name (3s,8r,9r,10r,13r,14r,17r)-17-[(e,1r,4s)-4-ethyl-1,5-dimethyl-hex-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 412.691 g·mol−1
Heat of Formation -477.0 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 580.7 Å 3
Surface Area 452.5 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8r,9r,10r,13r,14r,17r)-17-[(e,1r,4s)-4-ethyl-1,5-dimethyl-hex-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,8r,9r,10r,13r,14r,17r)-17-[(e,1r,4s)-4-ethyl-1,5-dimethylhex-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,8r,9r,10r,13r,14r,17r)-17-[(e,2r,5s)-5-ethyl-6-methyl-hept-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,8r,9r,10r,13r,14r,17r)-17-[(e,2r,5s)-5-ethyl-6-methylhept-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
InChIKey HCXVJBMSMIARIN-FDTSYMMWSA-N
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