Cleomiscosin A

Molecule SVG Image

Properties Simple | Detailed

Formula C20H18O8
IUPAC Name (2s,3s)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Molecular Mass 386.352 g·mol−1
Heat of Formation -1034.3 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 420.98 Å 3
Surface Area 364.58 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one
  • (2s,3s)-3-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-2-methylol-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one
  • (2s,3s)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one
CAS Number(s)
  • 76948-72-6
InChIKey OCBGWPJNUZMLCA-RDJZCZTQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O