A-Spinasterin

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Formula C29H48O
IUPAC Name (3s,5s,9r,10s,13r,14r,17r)-17-[(e,1r,4s)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 412.691 g·mol−1
Heat of Formation -478.6 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 577.68 Å 3
Surface Area 445.77 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (3-beta,5-alpha,22e)-stigmasta-7,22-dien-3-ol
  • (3s,5s,9r,10s,13r,14r,17r)-17-[(e,1r,4s)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,9r,10s,13r,14r,17r)-17-[(e,1r,4s)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,9r,10s,13r,14r,17r)-17-[(e,2r,5s)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,9r,10s,13r,14r,17r)-17-[(e,2r,5s)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 5-alpha-stigmasta-7,22-dien-3-beta-ol, (e)-
  • alpha-spinasterin
  • alpha-spinasterol
  • hitodesterol
  • lmst01040126
  • spinasterol
CAS Number(s)
  • 481-18-5
InChIKey JZVFJDZBLUFKCA-FXIAWGAOSA-N
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