(3β,5β,11Alpha)-3-[(2,6-Dideoxy-3-O-Methyl-Alpha-L-Arabino-Hexopyranosyl)Oxy]-11,14-Dihydroxycard-20(22)-Enolide

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Properties Simple | Detailed

Formula C30H46O8
IUPAC Name 3-[(3s,5r,8r,9s,10s,11r,13r,14s,17r)-11,14-dihydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2h-furan-5-one
Molecular Mass 534.681 g·mol−1
Heat of Formation -1606.5 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 641.34 Å 3
Surface Area 487.54 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3s,5r,8r,9s,10s,11r,13r,14s,17r)-11,14-dihydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10s,11r,13r,14s,17r)-11,14-dihydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10s,11r,13r,14s,17r)-11,14-dihydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10s,11r,13r,14s,17r)-11,14-dihydroxy-3-[[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • card-20(22)-enolide, 3-((2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)oxy)-11,14-dihydroxy-, (3beta,5beta,11alpha)-
  • divaricoside
  • divaside
  • sarmentogenin 3-o-alpha-l-oleandroside
CAS Number(s)
  • 508-84-9
InChIKey LEORFFVSVUWAEY-WJOPOJKJSA-N
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