(10R,11S,12S)-12-Hydroxy-4,6,6,10,11-Pentamethyl-11,12-Dihydro-2H,6H,10H-Dipyrano[2,3-F:2',3'-H]Chromen-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C20H22O5
IUPAC Name (10r,11s,12s)-12-hydroxy-4,6,6,10,11-pentamethyl-11,12-dihydro-2h,6h,10h-dipyrano[2,3-f:2',3'-h]chromen-2-one
Molecular Mass 342.386 g·mol−1
Heat of Formation -826.1 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 397.93 Å 3
Surface Area 336.74 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2h, 6h, 10h-benzo[1,2-b:3,4-b':5,6-b'']tripyan-2-one, 11,12-dihydro-12hydroxy-4,6,6,10,11-pentamethyl-, (10.alpha.,11.beta., 12.alpha.)-(+)-
  • cordatolide a
CAS Number(s)
  • 98449-39-9
InChIKey VFKOXOKVQKGOTG-UVWXRNBGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O