(17β)-3-Oxoandrost-4-En-17-Yl β-D-Glucopyranosiduronic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C25H36O8
IUPAC Name (2s,3s,4s,5r,6r)-6-[[(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 464.549 g·mol−1
Heat of Formation -1547.9 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 552.27 Å 3
Surface Area 430.63 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[(8r,9s,10r,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 17beta-hydroxyandrost-4-en-3-one 3-d-glucuronide
  • 3-oxoandrost-4-en-17beta-yl beta-d-glucopyranosiduronic acid
  • beta-d-glucopyranosiduronic acid, (17beta)-3-oxoandrost-4-en-17-yl
  • epitestosterone glucuronide
  • lmst05010012
  • testosterone 17-glucosiduronate
  • testosterone 17beta-(beta-d-glucuronide)
  • testosterone 3-glucosiduronic acid
  • testosterone glucuronate
  • testosterone glucuronide
  • testosterone glucuronoside
CAS Number(s)
  • 30330-56-4
  • 5624-49-7
  • 1180-25-2
InChIKey NIKZPECGCSUSBV-HMAFJQTKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O