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

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Properties Simple | Detailed

Formula C29H34O9
IUPAC Name (4ar,6ar,12as,12bs)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4h,11h-benzo[f]pyrano[4,3-b]chromene-1,11(5h)-dione
Molecular Mass 526.575 g·mol−1
Heat of Formation -1380.1 ± 16.7 kJ·mol−1
Dipole Moment 8.22 ± 1.08 D
Volume 592.85 Å 3
Surface Area 478.47 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.24 ± 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-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-, (4ar,6ar,12as,12bs)-
  • 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-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-, (4ar-(4a-alpha,6a-beta,12a-alpha,12b-beta))-
  • territrem b
  • territreme b
CAS Number(s)
  • 70407-20-4
InChIKey PBXNNDFKPQPJBB-VJLHXPKFSA-N
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