β-Sitosterol

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Properties Simple | Detailed

Formula C29H50O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 414.707 g·mol−1
Heat of Formation -564.1 ± 16.7 kJ·mol−1
Dipole Moment 1.66 ± 1.08 D
Volume 582.16 Å 3
Surface Area 453.34 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta)-stigmast-5-en-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-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-[(1r,4r)-4-ethyl-1,5-dimethylhexyl]-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-[(2r,5r)-5-ethyl-6-methyl-heptan-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-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • .alpha.-dihydrofucosterol
  • .beta.-sitosterin
  • .beta.-sitosterol
  • .beta.sitosterin
  • .beta.sitosterol
  • 22,23-dihydrostigmasterol
  • 24-ethylcholest-5-en-3.beta.-ol
  • 24.alpha.-ethylcholesterol
  • 24beta-ethylcholesterol
  • 5-stigmasten-3beta-ol
  • acon1_000287
  • alpha-dihydrofucosterol
  • alpha.dihydrofucosterol
  • angelicin (steroid)
  • bpbio1_001155
  • cinchol
  • cupreol
  • harzol
  • lmst01040129
  • megxp0_001710
  • quebrachol
  • rhamnol
  • sito-lande
  • sitosterol beta
  • sitosterol, beta
  • skf 14463
  • smp1_000274
  • triastonal
CAS Number(s)
  • 83-46-5
InChIKey KZJWDPNRJALLNS-VJSFXXLFSA-N
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