(17β)-17-Hydroxyestra-1,3,5(10)-Trien-3-Yl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C24H32O8
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 448.506 g·mol−1
Heat of Formation -1461.6 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 521.87 Å 3
Surface Area 427.89 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid
  • 17beta-estradiol 3-(beta-d-glucuronide)
  • 17beta-estradiol 3-glucosiduronic acid
  • 17beta-estradiol 3-glucuronide
  • 17beta-hydroxyestra-1,3,5(10)-trien-3-yl beta-d-glucopyranosiduronic acid
  • estra-1,3,5(10)-triene-3,17beta-diol 3-d-glucuronide
  • estradiol-17beta 3-glucuronide
  • lmst05010007
InChIKey MUOHJTRCBBDUOW-QXYWQCSFSA-N
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