(3Ar,4As,5S,7As,8S,9Ar)-5-Hydroxy-4A-(Hydroxymethyl)-8-Methyl-3-Methylenedecahydroazuleno[6,5-B]Furan-2(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C15H22O4
IUPAC Name (3ar,5s,5as,8s,8as,9ar)-8-hydroxy-8a-(hydroxymethyl)-5-methyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-2-one
Molecular Mass 266.333 g·mol−1
Heat of Formation -740.6 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 323.65 Å 3
Surface Area 267.82 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5s,5as,8s,8as,9ar)-8-hydroxy-5-methyl-1-methylene-8a-methylol-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[7,6-d]furan-2-one
  • (3ar,5s,5as,8s,8as,9ar)-8-hydroxy-8a-(hydroxymethyl)-5-methyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[7,6-d]furan-2-one
  • (3ar,5s,5as,8s,8as,9ar)-8-hydroxy-8a-(hydroxymethyl)-5-methyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[7,6-d]furan-2-one
  • azuleno[6,5-b]furan-2(3h)-one, decahydro-5-hydroxy-4a-(hydroxymethyl)-8-methyl-3-methylene-, [3ar-(3a.alpha.,4a.beta.,5.beta.,7a.alpha.,8.beta.,9a.alpha.)]-
  • rudmollin
CAS Number(s)
  • 76467-15-7
InChIKey MRKDDZNWFZRYRN-DGAUTFDNSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O