(3R,4Ar,12Bs)-3,4A,8-Trihydroxy-12B-{[(2R,5R,6R)-5-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-3-Methyl-3,4,4A,12B-Tetrahydro-1,7,12(2H)-Tetraphenetrione

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Properties Simple | Detailed

Formula C25H26O9
IUPAC Name (3r,4ar,12bs)-3,4a,8-trihydroxy-12b-[(2r,5r,6r)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Molecular Mass 470.469 g·mol−1
Heat of Formation -1381.0 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 511.64 Å 3
Surface Area 379.79 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4ar,12bs)-3,4a,8-trihydroxy-12b-[(2r,5r,6r)-5-hydroxy-6-methyl-oxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (3r,4ar,12bs)-3,4a,8-trihydroxy-12b-[(2r,5r,6r)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (3r,4ar,12bs)-3,4a,8-trihydroxy-12b-[(2r,5r,6r)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (3r,4ar,12bs)-3,4a,8-trihydroxy-12b-[[(2r,5r,6r)-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • benz(a)anthracene-1,7,12(2h)-trione, 3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-12b-((tetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl)oxy)-, (3r-(3alpha,4abeta,12bbeta(2r*,5r*,6r*)))-
  • sakyomicin c
CAS Number(s)
  • 86413-76-5
InChIKey DSMQDARJKCLOPP-IHCLWORPSA-N
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