Methyl (1R,2S,9R,10S,11R,13R,15S)-9,15-Dihydroxy-2,6,6,10,13,15-Hexamethyl-17-Methylene-7,14,16-Trioxotetracyclo[11.3.1.0~2,11~.0~5,10~]Heptadec-4-Ene-1-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C26H30O7
IUPAC Name methyl (1r,2s,9r,10s,11r,13r,15s)-9,15-dihydroxy-2,6,6,10,13,15-hexamethyl-17-methylene-7,14,16-trioxotetracyclo[11.3.1.0 2,11 .0 5,10 ]heptadec-4-ene-1-carboxylate
Molecular Mass 454.512 g·mol−1
Heat of Formation -1223.9 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 541.45 Å 3
Surface Area 383.86 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
InChIKey BNDPVNXDSQOTOY-OKCDOLPESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O