Avenasterol

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Formula C29H48O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(z,1r)-4-isopropyl-1-methyl-hex-4-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 -481.4 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 574.93 Å 3
Surface Area 445.85 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(z,2r)-5-propan-2-ylhept-5-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-[(z,1r)-4-isopropyl-1-methyl-hex-4-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-[(z,1r)-4-isopropyl-1-methylhex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • delta5-avenasterol
  • isofucosterol
CAS Number(s)
  • 18472-36-1
  • 481-14-1
InChIKey OSELKOCHBMDKEJ-WGMIZEQOSA-N
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