(1S,13S,15S)-8,10,15-Trihydroxy-6,14,14-Trimethyl-1,5-Bis(3-Methyl-2-Buten-1-Yl)Tetracyclo[11.3.1.0~2,11~.0~4,9~]Heptadeca-2,4,6,8,10-Pentaene-12,17-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C27H16O5
IUPAC Name 4,9-diethynyl-3-methyl-6-[(2-methylenecyclopropylidene)methylene]-10-(oxomethylene)-2,5-dihydrocycloocta[b]naphthalene-1,8,11,12-tetrone
Molecular Mass 420.413 g·mol−1
Heat of Formation -934.0 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 585.94 Å 3
Surface Area 458.52 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
InChIKey NRVDUEFDDRPHGV-KIYFCNKGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O