(5R,5Ar,8Ar)-5-(7-Methoxy-1,3-Benzodioxol-5-Yl)-5,8,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(5Ah)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H18O7
IUPAC Name (5r,5ar,8ar)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
Molecular Mass 382.363 g·mol−1
Heat of Formation -818.4 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 414.12 Å 3
Surface Area 351.25 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (5ar,8ar,9r)-9-(7-methoxy-1,3-benzodioxol-5-yl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • austrobailignan 1
  • austrobailignan-1
  • austrobailignan-1 (b809654k048)
  • b809654k048
  • furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)-, [5r-(5.alpha.,5a.beta.,8a.alpha.)]-
CAS Number(s)
  • 55955-07-2
InChIKey GROYKMASYUMFER-RQUSPXKASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O