Methyl (1β,8Xi,11β,12Alpha,15β)-15-(Hexanoyloxy)-1,11,12-Trihydroxy-2,16-Dioxo-13,20-Epoxypicras-3-En-21-Oate

Molecule SVG Image

Properties Simple | Detailed

Formula C27H18O11
IUPAC Name methyl (1beta,8xi,11beta,12alpha,15beta)-15-(hexanoyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
Molecular Mass 518.425 g·mol−1
Heat of Formation 1432.4 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 501.55 Å 3
Surface Area 391.79 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy -2.35 ± eV
Point Group Symmetry C1
InChIKey NZDAVMOPAYYVCK-IYZGDUPWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O