Solstitialin A

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Formula C15H20O5
IUPAC Name (3r,3ar,6ar,8s,9ar,9br)-3,8-dihydroxy-3-(hydroxymethyl)-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Molecular Mass 280.316 g·mol−1
Heat of Formation -832.3 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 328.32 Å 3
Surface Area 273.27 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3ar,6ar,8s,9ar,9br)-3,8-dihydroxy-3-(hydroxymethyl)-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one
  • (3r,3ar,6ar,8s,9ar,9br)-3,8-dihydroxy-6,9-dimethylene-3-methylol-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one
  • (3r-(3alpha,3aalpha,6aalpha,8 beta,9aalpha,9bbeta))-decahydro-3,8-dihydroxy-3-(hydroxymethyl)-6,9-bis(methylene)azuleno(4,5-b)furan-2(3h)-one
  • azuleno(4,5-b)furan-2(3h)-one, decahydro-3,8-dihydroxy-3-(hydroxymethyl)-6,9-bis(methylene)-, (3r-(3alpha,3aalpha,6aalpha,8beta,9aalpha,9bbeta))-(9ci)
  • guaia-4(15),10(14)-dien-12-oic acid, 3beta,6alpha,11,13-tetrahydroxy-, gamma-lactone, (11r)- (8ci)
InChIKey LWOZDCFSMDBOSA-AQEIEYEASA-N
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