(5R,5As,8Ar,9R)-9-Ethoxy-5-(3,4,5-Trimethoxyphenyl)-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 C24H26O8
IUPAC Name (5r,5ar,8as,9r)-5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Mass 442.458 g·mol−1
Heat of Formation -1073.0 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 500.81 Å 3
Surface Area 407.51 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,5ar,8as,9r)-5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
  • (5r-(5alpha,5aalpha,8aalpha,9alpha))-9-ethoxy-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 9-ethoxy-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5r-(5alpha,5aalpha,8aalpha,9alpha))-
CAS Number(s)
  • 106709-55-1
InChIKey STGBBEULPHACPI-RGXPITOMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O