(3β,5β)-3-[(2,6-Dideoxy-3-O-Methyl-β-D-Lyxo-Hexopyranosyl)Oxy]-5,14-Dihydroxycard-20(22)-Enolide

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Properties Simple | Detailed

Formula C30H46O8
IUPAC Name 3-[(3s,5s,8r,9s,10r,13r,14s,17r)-5,14-dihydroxy-3-[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2h-furan-5-one
Molecular Mass 534.681 g·mol−1
Heat of Formation -1609.6 ± 16.7 kJ·mol−1
Dipole Moment 8.01 ± 1.08 D
Volume 640.6 Å 3
Surface Area 486.69 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3s,5s,8r,9s,10r,13r,14s,17r)-5,14-dihydroxy-3-[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5s,8r,9s,10r,13r,14s,17r)-5,14-dihydroxy-3-[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5s,8r,9s,10r,13r,14s,17r)-5,14-dihydroxy-3-[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5s,8r,9s,10r,13r,14s,17r)-5,14-dihydroxy-3-[[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
InChIKey XRWQBDJPMXRDOQ-IGLPKLRXSA-N
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