Methyl (3E,3As,4As,6S,7S,7As,9As,9Bs)-3-Ethylidene-6-Hydroxy-2-Oxo-3,3A,6,7,7A,9B-Hexahydro-2H,4Ah-1,4,5-Trioxadicyclopenta[A,Hi]Indene-7-Carboxylate

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Formula C15H16O7
IUPAC Name methyl (3e,3as,4as,6s,7s,7as,9as,9bs)-3-ethylidene-6-hydroxy-2-oxo-3,3a,6,7,7a,9b-hexahydro-2h,4ah-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate
Molecular Mass 308.283 g·mol−1
Heat of Formation -1086.6 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 334.42 Å 3
Surface Area 292.5 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • allamandin
CAS Number(s)
  • 51820-82-7
InChIKey UEOKCUGZTJHPBW-AAKUPCIZSA-N
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