(3Ar,12Ar)-3A,4,6-Trihydroxy-9-(3-Hydroxy-3-Methylbutyl)-3A,12A-Dihydro-5H-Furo[3',2':4,5]Furo[3,2-B]Xanthen-5-One

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Properties Simple | Detailed

Formula C22H20O8
IUPAC Name (3ar,12ar)-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-3a,12a-dihydro-5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one
Molecular Mass 412.389 g·mol−1
Heat of Formation -1194.9 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 453.08 Å 3
Surface Area 383.11 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-, (3ar,12ar)-
  • 5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one, 3a,12a-dihydro-3a,4,6-trihydroxy-9-(3-hydroxy- 3-methylbutyl)-, (3ar-cis)-
  • 5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one, 3a,12a-dihydro-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-, (3ar,12ar)-
  • austocystin d
CAS Number(s)
  • 55256-53-6
InChIKey VXTQFTUOAJRUDO-IFMALSPDSA-N
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