(3Ar,4S,6Ar,8S,9S,9As,9Bs)-9-(Chloromethyl)-4,8,9-Trihydroxy-3,6-Bis(Methylene)Decahydroazuleno[4,5-B]Furan-2(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C15H19ClO5
IUPAC Name (3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Molecular Mass 314.761 g·mol−1
Heat of Formation -893.7 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 348.52 Å 3
Surface Area 283.77 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one
  • (3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one
  • azuleno(4,5-b)furan-2(3h)-one, decahydro-3,6-bis(methylene)-9-(chloromethyl)-4,8,9-trihydroxy-, (3ar-(3a-alpha,4-alpha,6a-alpha,8-beta,9-alpha,9a-alpha,9b-beta))-
  • chlorohyssopifolin b
CAS Number(s)
  • 38290-03-8
InChIKey YIFQICREHIVCKL-YWDFAVMRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl