(3Ar,5R,5'S,6S,7S,8Ar)-5-Hydroxy-5',7-Dimethyl-3-Methyleneoctahydro-3'H-Spiro[Cyclohepta[B]Furan-6,2'-Furan]-2(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C15H22O4
IUPAC Name (3ar,5r,5's,6s,7s,8ar)-5-hydroxy-5',7-dimethyl-3-methylene-spiro[3a,4,5,7,8,8a-hexahydrocyclohepta[b]furan-6,2'-tetrahydrofuran]-2-one
Molecular Mass 266.333 g·mol−1
Heat of Formation -762.7 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 328.04 Å 3
Surface Area 274.81 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5r,5's,6s,7s,8ar)-5-hydroxy-5',7-dimethyl-3-methylene-2-spiro[3a,4,5,7,8,8a-hexahydrocyclohepta[d]furan-6,2'-tetrahydrofuran]one
  • (3ar,5r,5's,6s,7s,8ar)-5-hydroxy-5',7-dimethyl-3-methylene-spiro[3a,4,5,7,8,8a-hexahydrocyclohepta[d]furan-6,2'-tetrahydrofuran]-2-one
  • (3ar,5r,5's,6s,7s,8ar)-5-hydroxy-5',7-dimethyl-3-methylidene-spiro[3a,4,5,7,8,8a-hexahydrocyclohepta[d]furan-6,2'-oxolane]-2-one
  • (3ar,5r,5's,6s,7s,8ar)-5-hydroxy-5',7-dimethyl-3-methylidenespiro[3a,4,5,7,8,8a-hexahydrocyclohepta[d]furan-6,2'-oxolane]-2-one
  • 1beta,4beta-epoxy-5beta-hydroxy-10alphah-xantha-11(13)-en-12,8beta-olide
  • rel-(3ar,5r,5's,6s,7s,8ar)-5-hydroxy-5',7-dimethyl-3-methyleneoctahydro-3'h-spiro[cyclohepta[b]furan-6,2'-furan]-2(3h)-one
  • spiro[6h-cyclohepta[b]furan-6,2'(3'h)-furan]-2(3h)-one, octahydro-5-hydroxy-5',7-dimethyl-3-methylene-, (3ar,5r,5's,6s,7s,8ar)-
InChIKey ZHGHWBHFNAIEDW-YBVYYMMESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O