[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-Ethyl-9,11,13-Trimethyl-8,16-Dioxo-12-{[3,4,6-Trideoxy-3-(Dimethylamino)-β-D-Xylo-Hexopyranosyl]Oxy}Oxacyclohexadeca-4,6,14-Trien-3-Yl]Methyl 6-Deoxy-2-O-Methyl-β-D-Allopyranoside

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Properties Simple | Detailed

Formula C36H59NO11
IUPAC Name (3e,5s,6s,7s,9r,11e,13e,15r,16r)-15-[[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-6-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
Molecular Mass 681.854 g·mol−1
Heat of Formation -2077.4 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 857.86 Å 3
Surface Area 547.83 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5s,6s,7s,9r,11e,13e,15r,16r)-15-[[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-6-[[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
  • (3e,5s,6s,7s,9r,11e,13e,15r,16r)-15-[[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyl-oxan-2-yl]oxymethyl]-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
  • (3e,5s,6s,7s,9r,11e,13e,15r,16r)-15-[[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
  • (3e,5s,6s,7s,9r,11e,13e,15r,16r)-15-[[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-quinone
  • (3e,5s,6s,7s,9r,11e,13e,15r,16r)-15-[[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
InChIKey FPIDCOOKEJFXFI-WKUFBULYSA-N
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