(5R)-2,4-Dideoxy-1-C-{(2S,3R,4S)-3-Hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-Hydroxy-3,15-Dimethoxy-7,9,11,13-Tetramethyl-16-Oxooxacyclohexadeca-4,6,12,14-Tetraen-2-Yl]-2-Pentanyl}-5-Isopropyl-4-Methyl-β-D-Threo-Pentopyranose

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Properties Simple | Detailed

Formula C35H58O9
IUPAC Name (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(1s,2r,3s)-3-[(2s,4r,5s,6r)-2,4-dihydroxy-6-isopropyl-5-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Molecular Mass 622.830 g·mol−1
Heat of Formation -1822.6 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 805.35 Å 3
Surface Area 568.79 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(1s,2r,3s)-3-[(2s,4r,5s,6r)-2,4-dihydroxy-6-isopropyl-5-methyl-2-tetrahydropyranyl]-2-hydroxy-1-methylbutyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(1s,2r,3s)-3-[(2s,4r,5s,6r)-2,4-dihydroxy-6-isopropyl-5-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3r,4s)-4-[(2s,4r,5s,6r)-2,4-dihydroxy-5-methyl-6-propan-2-yl-oxan-2-yl]-3-hydroxy-pentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3r,4s)-4-[(2s,4r,5s,6r)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
InChIKey XDHNQDDQEHDUTM-AWTFLTMUSA-N
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