17-Oxoestra-1,3,5(10)-Trien-3-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C24H32O7
IUPAC Name (8r,9s,13s,14s)-13-methyl-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 432.507 g·mol−1
Heat of Formation -1265.8 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 518.34 Å 3
Surface Area 419.49 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-13-methyl-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • (8r,9s,13s,14s)-13-methyl-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • (8r,9s,13s,14s)-13-methyl-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • (8r,9s,13s,14s)-13-methyl-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • estra-1,3,5(10)-trien-17-one, 3-(beta-d-glucopyranosyloxy)-
  • estrone glucoside
  • estrone-3-beta-d-glucopyranoside
CAS Number(s)
  • 25591-03-1
InChIKey VYFHMFCXSCMXHA-QVOCEEOWSA-N
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