(16α,17Beta)-3,17-Dihydroxyestra-1,3,5(10)-Trien-16-Yl Beta-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C24H32O9
IUPAC Name (2s,3s,4s,5r,6r)-6-[[(8r,9s,13s,14s,16r,17r)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 464.505 g·mol−1
Heat of Formation -1676.7 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 530.41 Å 3
Surface Area 428.37 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 3.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[[(8r,9s,13s,14s,16r,17r)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(8r,9s,13s,14s,16r,17r)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(8r,9s,13s,14s,16r,17r)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(8r,9s,13s,14s,16r,17r)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 16-glucuronide-estriol
  • 16alpha,17beta-estriol 16-(beta-d-glucuronide)
  • 3,17beta-dihydroxy-1,3,5(10)-estratrien-16alpha-yl-beta-d-glucopyranosiduronic acid
  • beta-d-glucopyranosiduronic acid, (16alpha,17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl
  • estra-1,3,5(10)-triene-3,16alpha,17beta-triol 16-d-glucuronide
  • estriol 16alpha-(beta-d-glucuronide)
  • estriol-16 alpha-(beta-d-glucuronide)
  • estriol-16-glucosiduronate
  • estriol-16alpha-(beta-d-glucuronide)
  • estriol-16alpha-glucuronide
  • lmst05010008
  • oestriol-16alpha-glucuronide
CAS Number(s)
  • 125926-21-8
  • 15288-35-4
  • 30137-09-8
  • 82356-48-7
  • 1852-50-2
InChIKey FQYGGFDZJFIDPU-JRSYHJKYSA-N
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