(3β)-20,22-Epoxycholest-5-En-3-Ol

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Formula C27H44O2
IUPAC Name (3s,8s,9s,10r,13s,14s,17s)-17-[(2r,3r)-3-isopentyl-2-methyl-oxiran-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 400.637 g·mol−1
Heat of Formation -544.1 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 543.68 Å 3
Surface Area 422.73 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17s)-10,13-dimethyl-17-[(2r,3r)-2-methyl-3-(3-methylbutyl)oxiran-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,13s,14s,17s)-17-[(2r,3r)-3-isoamyl-2-methyl-oxiran-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,13s,14s,17s)-17-[(2r,3r)-3-isopentyl-2-methyl-2-oxiranyl]-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,13s,14s,17s)-17-[(2r,3r)-3-isopentyl-2-methyl-oxiran-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
InChIKey GXXSUWZCDVJLJJ-TYKWNDPBSA-N
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