(2S,3S,4E,6E,8E,11S,12S,13S)-13-[(2S,4E,6E,8E,10S,12E,14E,16E,18R,19E)-10,18-Dihydroxy-12,16,19-Trimethyl-11,22-Dioxooxacyclodocosa-4,6,8,12,14,16,19-Heptaen-2-Yl]-3,12-Dihydroxy-11-Methyl-10-Oxo-4,6,8-Tetradecatrien-2-Yl 6-Deoxy-2,4-Di-O-Methyl-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C47H66O13
IUPAC Name (4e,6r,7e,9e,11e,14s,15e,17e,19e,22s)-22-[(1s,2s,3s,5e,7e,9e,11s,12s)-2,11-dihydroxy-12-[(2r,3r,4s,5r,6r)-4-hydroxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-1,3-dimethyl-4-oxo-trideca-5,7,9-trienyl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
Molecular Mass 839.019 g·mol−1
Heat of Formation -2038.1 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 1083.91 Å 3
Surface Area 838.73 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3e,5e,7e,10s,11s,12s)-12-[(2r,4e,6e,8z,10r,12e,14e,16z,18s,19z)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxooxacyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-o-methyl-beta-l-galactopyranoside
  • (4e,6r,7e,9e,11e,14s,15e,17e,19e,22s)-22-[(1s,2s,3s,5e,7e,9e,11s,12s)-2,11-dihydroxy-12-[(2r,3r,4s,5r,6r)-4-hydroxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-1,3-dimethyl-4-oxo-trideca-5,7,9-trienyl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
  • (4e,6r,7e,9e,11e,14s,15e,17e,19e,22s)-22-[(1s,2s,3s,5e,7e,9e,11s,12s)-2,11-dihydroxy-12-[(2r,3r,4s,5r,6r)-4-hydroxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-keto-1,3-dimethyl-trideca-5,7,9-trienyl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-quinone
  • (4e,6r,7e,9e,11e,14s,15e,17e,19e,22s)-22-[(1s,2s,3s,5e,7e,9e,11s,12s)-2,11-dihydroxy-12-[[(2r,3r,4s,5r,6r)-4-hydroxy-3,5-dimethoxy-6-methyl-2-tetrahydropyranyl]oxy]-1,3-dimethyl-4-oxotrideca-5,7,9-trienyl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
  • (4e,6r,7e,9e,11e,14s,15e,17e,19e,22s)-22-[(2s,3s,4s,6e,8e,10e,12s,13s)-3,12-dihydroxy-13-[(2r,3r,4s,5r,6r)-4-hydroxy-3,5-dimethoxy-6-methyl-oxan-2-yl]oxy-4-methyl-5-oxo-tetradeca-6,8,10-trien-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
  • (4e,6r,7e,9e,11e,14s,15e,17e,19e,22s)-22-[(2s,3s,4s,6e,8e,10e,12s,13s)-3,12-dihydroxy-13-[(2r,3r,4s,5r,6r)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-4-methyl-5-oxotetradeca-6,8,10-trien-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
  • pul
InChIKey FXSFWUNCIOIMAC-VXILMCRLSA-N
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