(23E)-2,20,25-Trihydroxy-9,10,14-Trimethyl-1,11,22-Trioxo-4,9-Cyclo-9,10-Secocholesta-5,23-Dien-16-Yl 2-O-Acetyl-6-Deoxyhexopyranosid-3-Ulose
Properties
Property | Value |
---|---|
Formula | C38H54O12 |
IUPAC Name | [(2s,3r,5s,6r)-2-[[(2r,8r,9r,10s,13s,14r,16r,17r)-17-[(e,1s)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-6-methyl-4-oxo-tetrahydropyran-3-yl] acetate |
Molecular Mass | 702.828 g·mol−1 |
Heat of Formation | -2229.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.66 ± 1.08 D |
Volume | 838.04 Å 3 |
Surface Area | 579.8 Å 2 |
HOMO Energy | -9.51 ± 0.55 eV |
LUMO Energy | 2.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | RRPAPBCRZGEXTR-RPJIICPJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |