1-O-[(3β)-3,24-Dihydroxy-28-Oxoolean-12-En-28-Yl]-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C36H58O9
IUPAC Name (6z)-6-ethynyl-7-methyl-10,11,15-trimethylene-bicyclo[12.4.1]nonadeca-6,17-dien-2,4,8,12-tetrayn-16-one; formaldehyde; molecular oxygen; hydrate
Molecular Mass 634.840 g·mol−1
Heat of Formation -1970.6 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 775.75 Å 3
Surface Area 554.88 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6ar,6as,6br,8ar,9s,10s,12ar,14bs)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
  • (4as,6ar,6as,6br,8ar,9s,10s,12ar,14bs)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester
  • 28-glu-epiederagenin
  • 28-o-glucopyranosylepiederagenin
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4as,6ar,6as,6br,8ar,9s,10s,12ar,14bs)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4as,6ar,6as,6br,8ar,9s,10s,12ar,14bs)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
  • olean-12-en-28-oic acid, 3,23-dihydroxy-, beta-d-glucopyranosyl ester, (3beta,4beta)-
CAS Number(s)
  • 146728-78-1
InChIKey WJMMBVSOQPALFO-ZHMISSTASA-N
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