(3α,5α)-17-Oxoandrostan-3-Yl Beta-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C25H38O8
IUPAC Name (2s,3s,4s,5r,6r)-6-[[(3r,5s,8r,9s,10s,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trioxido-tetrahydropyran-3-ide-2-carboxylate
Molecular Mass 466.564 g·mol−1
Heat of Formation -1630.8 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 559.32 Å 3
Surface Area 437.9 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 3.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[(3r,5s,8r,9s,10s,13s,14s)-17-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(3r,5s,8r,9s,10s,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(3r,5s,8r,9s,10s,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(3r,5s,8r,9s,10s,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(3r,5s,8r,9s,10s,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 3alpha-hydroxy-5alpha-androstan-17-one 3-d-glucuronide
  • androsterone 3-glucosiduronic acid
  • androsterone 3-glucuronide
  • androsterone glucosiduronate
  • androsterone glucuronide
  • androsterone glucuronoside
  • beta-d-glucopyranosiduronic acid, (3alpha,5alpha)-17-oxoandrostan-3-yl
  • lmst05010013
CAS Number(s)
  • 30138-61-5
  • 3953-07-9
  • 1852-43-3
InChIKey VFUIRAVTUVCQTF-BSOWLZGZSA-N
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