(3β,5Alpha,6Alpha,15Alpha,16β,24R,25R)-24,27-Cyclocholestane-3,6,8,15,16,26-Hexol

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Formula C27H46O6
IUPAC Name (3s,5s,6s,8s,9r,10s,13r,14s,15r,16r,17r)-6,8,15,16-tetrahydroxy-10,13-dimethyl-17-[(1r)-1-methyl-3-[(1s,2r)-2-(oxidomethyl)cyclopropyl]propyl]-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-olate
Molecular Mass 466.651 g·mol−1
Heat of Formation -203.1 ± 16.7 kJ·mol−1
Dipole Moment 63.55 ± 1.08 D
Volume 581.78 Å 3
Surface Area 438.46 Å 2
HOMO Energy -4.79 ± 0.55 eV
LUMO Energy -4.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,6s,8s,9r,10s,13r,14s,15r,16r,17r)-10,13-dimethyl-17-[(1r)-1-methyl-3-[(1r,2r)-2-methylolcyclopropyl]propyl]-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol
  • (3s,5s,6s,8s,9r,10s,13r,14s,15r,16r,17r)-17-[(1r)-3-[(1r,2r)-2-(hydroxymethyl)cyclopropyl]-1-methyl-propyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol
  • (3s,5s,6s,8s,9r,10s,13r,14s,15r,16r,17r)-17-[(1r)-3-[(1r,2r)-2-(hydroxymethyl)cyclopropyl]-1-methylpropyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol
  • (3s,5s,6s,8s,9r,10s,13r,14s,15r,16r,17r)-17-[(2r)-4-[(1r,2r)-2-(hydroxymethyl)cyclopropyl]butan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol
InChIKey JTUYNKPRHAYAEY-MSHUOENLSA-N
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