(2R,3As,5R,6Ar,6Br,7S,9R,9Ar,11Ar,11Br,12S,12Ar)-9-Acetoxy-2-(3-Furyl)-5,12-Dihydroxy-1,6B,9A,12A-Tetramethyl-3,3A,6,6A,6B,7,8,9,9A,10,11A,11B,12,12A-Tetradecahydro-2H,5H-Cyclopenta[B]Furo[2',3',4':4,5]Naphtho[2,1-D]Oxepin-7-Yl (2E)-2-Methyl-2-Butenoate

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Formula C26H20O9
IUPAC Name (2r,3as,5r,6ar,6br,7s,9r,9ar,11ar,11br,12s,12ar)-9-acetoxy-2-(3-furyl)-5,12-dihydroxy-1,6b,9a,12a-tetramethyl-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2h,5h-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,1-d]oxepin-7-yl (2e)-2-methyl-2-butenoate
Molecular Mass 476.432 g·mol−1
Heat of Formation -1567.6 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 686.44 Å 3
Surface Area 464.42 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 3.27 ± eV
Point Group Symmetry C1
Synonyms
  • adenia volkesii toxin
  • volkensin
CAS Number(s)
  • 91933-11-8
InChIKey KQNNSYZQMSOOQH-GLDAUDTLSA-N
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