Methyl (6Ar,7S,10Ar)-3-[(6-Deoxy-2,3,4-Tri-O-Methyl-α-L-Mannopyranosyl)Oxy]-6A,7,12-Trihydroxy-8,10A-Dimethoxy-1-Methyl-6,10,11-Trioxo-6,6A,7,10,10A,11-Hexahydro-2-Tetracenecarboxylate

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Properties Simple | Detailed

Formula C32H36O15
IUPAC Name methyl (6ar,7s,10ar)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-[(2s,3r,4r,5s,6s)-3,4,5-trimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-7h-tetracene-2-carboxylate
Molecular Mass 660.619 g·mol−1
Heat of Formation -2281.4 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 724.91 Å 3
Surface Area 567.7 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar,7s,10ar)-6a,7,12-trihydroxy-6,10,11-triketo-8,10a-dimethoxy-1-methyl-3-[(2s,3r,4r,5s,6s)-3,4,5-trimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-7h-tetracene-2-carboxylic acid methyl ester
  • (6ar,7s,10ar)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-[[(2s,3r,4r,5s,6s)-3,4,5-trimethoxy-6-methyl-2-tetrahydropyranyl]oxy]-7h-tetracene-2-carboxylic acid methyl ester
  • methyl (6ar,7s,10ar)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-[(2s,3r,4r,5s,6s)-3,4,5-trimethoxy-6-methyl-oxan-2-yl]oxy-7h-tetracene-2-carboxylate
  • methyl (6ar,7s,10ar)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-[(2s,3r,4r,5s,6s)-3,4,5-trimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-7h-tetracene-2-carboxylate
  • methyl (6ar,7s,10ar)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-[(2s,3r,4r,5s,6s)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-7h-tetracene-2-carboxylate
InChIKey OYEXGNNKRQPUBW-FJYHMNRNSA-N
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