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

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Properties Simple | Detailed

Formula C20H28O5
IUPAC Name (3ar,4s,8s,8as,9ar)-4-hydroxy-4-[1-(hydroxymethyl)vinyl]-8-isopropyl-3a,8a-dimethyl-7,8,9,9a-tetrahydro-3h-azuleno[5,6-b]furan-2,6-dione
Molecular Mass 348.433 g·mol−1
Heat of Formation -887.6 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 425.99 Å 3
Surface Area 331.46 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4s,8s,8as,9ar)-4-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-3a,8a-dimethyl-8-propan-2-yl-7,8,9,9a-tetrahydro-3h-azuleno[6,5-d]furan-2,6-dione
  • (3ar,4s,8s,8as,9ar)-4-hydroxy-4-[1-(hydroxymethyl)vinyl]-8-isopropyl-3a,8a-dimethyl-7,8,9,9a-tetrahydro-3h-azuleno[6,5-d]furan-2,6-dione
  • (3ar,4s,8s,8as,9ar)-4-hydroxy-8-isopropyl-3a,8a-dimethyl-4-(1-methylolvinyl)-7,8,9,9a-tetrahydro-3h-azuleno[6,5-d]furan-2,6-quinone
InChIKey CMFMNGXFTLTMOH-XAYHPSFQSA-N
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