(1R,2R,13S,14S,24R)-9,19-Dihydroxy-13-Methoxy-11,17-Dimethyl-3,7,15,21-Tetraoxo-6,22-Dioxaheptacyclo[12.9.1.1~1,16~.1~4,8~.0~2,13~.0~12,26~.0~20,25~]Hexacosa-4,8(26),9,11,16(25),17,19-Heptaen-24-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C29H16O11
IUPAC Name (1r,2r,13s,14s,24r)-9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.1 1,16 .1 4,8 .0 2,13 .0 12,26 .0 20,25 ]hexacosa-4,8(26),9,11,16(25),17,19-heptaen-24-yl acetate
Molecular Mass 540.431 g·mol−1
Heat of Formation -1719.0 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 567.21 Å 3
Surface Area 395.39 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
InChIKey WBQDAYWQELBEPU-FTAQWXBTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O