(−)-α-Santonin

Molecule SVG Image

Properties Simple | Detailed

Formula C15H18O3
IUPAC Name (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-benzo[g]benzofuran-2,8-dione
Molecular Mass 246.302 g·mol−1
Heat of Formation -458.4 ± 16.7 kJ·mol−1
Dipole Moment 7.31 ± 1.08 D
Volume 299.83 Å 3
Surface Area 257.06 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-alpha-santonin
  • (-)-.alpha.-santonin
  • (-)-alpha-santonin
  • (-)-santonin
  • (-)-santonine
  • (11s)-6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic acid gamma-lactone
  • (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-benzo[g]benzofuran-2,8-dione
  • (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-benzo[g]benzofuran-2,8-quinone
  • (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-naphtho[7,8-d]furan-2,8-dione
  • (3s,3as,5as,9bs)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione
  • (3s,5as,9bs)-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3h,4h)dione
  • .alpha.-santonin
  • 1,2,3,4,4a,7-hexahydro-1-hydroxy-.alpha., 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid .gamma.-lactone
  • 11-epiisoeusantona-1,4-dienic acid, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone
  • 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-naphtho[1,2-b]puran-2,8(3h,4h)-dione
  • 6alpha-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic acid gamma-lactone
  • alpha-santonin
  • bb_nc-0716
  • bpbio1_001166
  • d00154
  • l-.alpha.-santonin
  • lmpr01030015
  • megxp0_001636
  • naphtho[1,2-b]furan-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3s,3as,5as,9bs)-
  • naphtho[1,2-b]furan-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3s-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-
  • naphtho[1,2-b]puran-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-
  • santonin
  • santonin (jp15)
  • santonine
  • santoninic anhydride
  • sdccgmls-0066491.p001
  • semenen
  • sr-01000635568-1
CAS Number(s)
  • 481-06-1
InChIKey XJHDMGJURBVLLE-BOCCBSBMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O