(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-{(2R,5R)-5-[(1R,2R)-2-Methylcyclopropyl]-2-Hexanyl}-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol (Non-Preferred Name)

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Formula C29H48O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,4r)-1-methyl-4-[(1r,2r)-2-methylcyclopropyl]pentyl]-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 -435.4 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 578.84 Å 3
Surface Area 449.86 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,4r)-1-methyl-4-[(1r,2r)-2-methylcyclopropyl]pentyl]-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-[(2r,5r)-5-[(1r,2r)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 26,27-dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24r(1r,2r))-
  • 26,27-dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24r(1s,2r))-
  • petrosterol
CAS Number(s)
  • 67314-15-2
InChIKey AOOVLQXWRHMRMX-BFPAFGTMSA-N
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