Rathbunioside R1

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Properties Simple | Detailed

Formula C32H56O8
IUPAC Name (2s,3r,4s,5r)-2-[(3s,6r)-2-methyl-6-[(3s,5s,6s,8r,9s,10r,13r,14s,15r,17r)-3,6,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptan-3-yl]oxyoxane-3,4,5-triol
Molecular Mass 568.782 g·mol−1
Heat of Formation -1852.8 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 721.35 Å 3
Surface Area 527.28 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r)-2-[(1s,4r)-1-isopropyl-4-[(3s,5s,6s,8r,9s,10r,13r,14s,15r,17r)-3,6,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentoxy]tetrahydropyran-3,4,5-triol
InChIKey WRGWWNXPGRAMSC-CJSYLMLXSA-N
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