(4Ar,6Ar,12As,12Bs)-4A,12A-Dihydroxy-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-4,4,6A,12B-Tetramethyl-4A,6,6A,12,12A,12B-Hexahydro-4H,11H-Benzo[F]Pyrano[4,3-B]Chromene-1,11(5H)-Dione

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Formula C28H30O9
IUPAC Name (4ar,6ar,12as,12bs)-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4h,11h-benzo[f]pyrano[4,3-b]chromene-1,11(5h)-dione
Molecular Mass 510.532 g·mol−1
Heat of Formation -1405.1 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 570.42 Å 3
Surface Area 460.61 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 4h,11h-naphtho(2,1-b)pyrano(3,4-e)pyran-1,11(5h)-dione, 4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-, (4ar-(4a-alpha,6a-beta,12a-alpha,12b-beta))-
  • territrem c
CAS Number(s)
  • 89020-33-7
InChIKey FTTNXWIFPFEOQT-JUDWXZBOSA-N
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