(1R,2Z,4R,8R,9R,11S)-1-Hydroxy-2,11-Dimethyl-7-Methylene-6-Oxo-5,14-Dioxatricyclo[9.2.1.0~4,8~]Tetradeca-2,12-Dien-9-Yl (2Z)-2-(Acetoxymethyl)-2-Butenoate

Molecule SVG Image

Properties Simple | Detailed

Formula C22H26O8
IUPAC Name (1r,2z,4r,8r,9r,11s)-1-hydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0 4,8 ]tetradeca-2,12-dien-9-yl (2z)-2-(acetoxymethyl)-2-butenoate
Molecular Mass 418.437 g·mol−1
Heat of Formation -1174.1 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 482.42 Å 3
Surface Area 383.2 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
Synonyms
  • liatris lactone
InChIKey PVBVYSOUXOHMEA-QLPNIUCISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O