Methyl (2Z)-3-[(3S,3As,5Ar,6R,6Ar,9As,9Br,9Cr,10As)-3-(3-Furyl)-6A,9A-Dihydroxy-3A,6,8,8,9B-Pentamethyl-1,7-Dioxododecahydro-3H-Furo[3',2':4,5]Cyclopenta[1,2-F]Oxireno[D]Isochromen-6-Yl]Acrylate

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Formula C27H32O10
IUPAC Name methyl (2z)-3-[(3s,3as,5ar,6r,6ar,9as,9br,9cr,10as)-3-(3-furyl)-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxododecahydro-3h-furo[3',2':4,5]cyclopenta[1,2-f]oxireno[d]isochromen-6-yl]acrylate
Molecular Mass 516.537 g·mol−1
Heat of Formation -1471.3 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 572.29 Å 3
Surface Area 415.05 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • harrisonin
CAS Number(s)
  • 62026-30-6
InChIKey DYNIRWNERRSOEV-HPGFDZHLSA-N
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Elements H C O