(3As,5Ar,6R,9As,9Bs)-6-Hydroxy-5A,9-Dimethyl-3-Methylene-3A,4,5,5A,6,7,9A,9B-Octahydronaphtho[1,2-B]Furan-2(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (3as,5ar,6r,9as,9bs)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,9a,9b-hexahydro-3ah-benzo[g]benzofuran-2-one
Molecular Mass 248.317 g·mol−1
Heat of Formation -493.1 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 305.39 Å 3
Surface Area 259.21 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,5ar,6r,9as,9bs)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,9a,9b-hexahydro-3ah-benzo[g]benzofuran-2-one
  • (3as,5ar,6r,9as,9bs)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3ah-naphtho[3,4-d]furan-2-one
  • balchanin
  • naphtho(1,2-b)furan-2(3h)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3as,5ar,6r,9as,9bs)-
  • naphtho(1,2-b)furan-2(3h)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3as-(3aalpha,5abeta,6beta,9aalpha,9bbeta))-
  • naphthol]1,2-b]furan-2(3h)-one,3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene
  • santamarin
  • santamarine
CAS Number(s)
  • 11016-81-2
  • 4290-13-5
  • 6895-45-0
InChIKey PLSSEPIRACGCBO-PFFFPCNUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O