(1S,2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-14-[(2R)-2,3-Dihydroxy-4-Methyl-5,6-Dihydro-2H-Pyran-2-Yl]-28-Hydroxy-5,7,9,19,29,35-Hexamethyl-13,17,38,39,40,41,42,43-Octaoxaoctacyclo[31.4.1.1~1,35~.1~2,5~.1~20,24~.1~24,27~.1~29,32~.0~12,16~]Tritetraconta-8,10-Diene-18,31-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C47H68O14
IUPAC Name (1s,2r,5r,7r,8e,10e,12r,14s,16r,19r,20s,24r,27s,28s,29r,32r,33r,35s)-14-[(2r)-2,3-dihydroxy-4-methyl-5,6-dihydro-2h-pyran-2-yl]-28-hydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1 1,35 .1 2,5 .1 20,24 .1 24,27 .1 29,32 .0 12,16 ]tritetraconta-8,10-diene-18,31-dione
Molecular Mass 857.034 g·mol−1
Heat of Formation -2739.9 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 1030.94 Å 3
Surface Area 664.98 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
InChIKey UUHLZWPSPOPYFR-LTNDQFMQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O