(3Ar,4R,5As,6S,9Ar)-4-Hydroxy-9A-(3-Hydroxy-1-Propen-2-Yl)-6-Isopropyl-3A,5A-Dimethyl-3,3A,4,5,5A,6,7,9A-Octahydroazuleno[5,6-B]Furan-2,8-Dione

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Properties Simple | Detailed

Formula C20H28O5
IUPAC Name (3ar,4r,5as,6s,9ar)-4-hydroxy-9a-[1-(hydroxymethyl)vinyl]-6-isopropyl-3a,5a-dimethyl-4,5,6,7-tetrahydro-3h-azuleno[7,6-b]furan-2,8-dione
Molecular Mass 348.433 g·mol−1
Heat of Formation -850.8 ± 16.7 kJ·mol−1
Dipole Moment 7.47 ± 1.08 D
Volume 428.92 Å 3
Surface Area 334.16 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4r,5as,6s,9ar)-4-hydroxy-6-isopropyl-3a,5a-dimethyl-9a-(1-methylolvinyl)-4,5,6,7-tetrahydro-3h-azuleno[6,7-d]furan-2,8-quinone
  • (3ar,4r,5as,6s,9ar)-4-hydroxy-9a-(3-hydroxyprop-1-en-2-yl)-3a,5a-dimethyl-6-propan-2-yl-4,5,6,7-tetrahydro-3h-azuleno[6,7-d]furan-2,8-dione
  • (3ar,4r,5as,6s,9ar)-4-hydroxy-9a-[1-(hydroxymethyl)vinyl]-6-isopropyl-3a,5a-dimethyl-4,5,6,7-tetrahydro-3h-azuleno[6,7-d]furan-2,8-dione
InChIKey LAUXGJSHPLNZHD-LVQIXTDASA-N
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