26,27-Oxido-5α-Cholestane-3α,7α,12α-Triol

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Formula C27H46O4
IUPAC Name (3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(1r)-1-methyl-4-(oxetan-3-yl)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
Molecular Mass 434.652 g·mol−1
Heat of Formation -977.2 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 566.65 Å 3
Surface Area 439.56 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3alpha,5alpha,7alpha,12alpha)-26,27-epoxycholestane-3,7,12-triol
  • (3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(1r)-1-methyl-4-(3-oxetanyl)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
  • (3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(1r)-1-methyl-4-(oxetan-3-yl)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
  • (3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-5-(oxetan-3-yl)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
  • anhydro-5alpha-cyprinol
  • anhydrocyprinol
CAS Number(s)
  • 3692-27-1
InChIKey UHVWHYLAKWRVGN-BBBUMGABSA-N
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