(2β,3β,5β)-2,3,14,20,21,25-Hexahydroxycholest-7-En-6-One

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Properties Simple | Detailed

Formula C25H16O7
IUPAC Name formaldehyde; (3s,7r,8s)-15-(2-hydroxyethynyl)-1-(3-hydroxyprop-2-ynyl)-4-methylene-trispiro[2.3.0.58.17.43]octadec-9-en-5,17-diyne-2,11,12,16-tetrone
Molecular Mass 428.390 g·mol−1
Heat of Formation -1531.6 ± 16.7 kJ·mol−1
Dipole Moment 7.70 ± 1.08 D
Volume 595.33 Å 3
Surface Area 455.77 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(1s)-1,5-dihydroxy-1-(hydroxymethyl)-5-methyl-hexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(1s)-1,5-dihydroxy-1-(hydroxymethyl)-5-methylhexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(1s)-1,5-dihydroxy-5-methyl-1-methylol-hexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2s)-1,2,6-trihydroxy-6-methyl-heptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
  • (2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2s)-1,2,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
InChIKey ICVFXEQYDYKIJU-VOCVGKOUSA-N
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