(9β,14Xi,16Alpha,23E)-1,16,20,22-Tetrahydroxy-25-Methoxy-9,14-Dimethyl-11-Oxo-4,9-Cyclo-9,10-Secocholesta-1,3,5(10),23-Tetraen-2-Yl β-D-Glucopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C36H54O12 |
| IUPAC Name | (8s,9r,13r,14s,16r,17r)-17-[(e,1r,2s)-1,2-dihydroxy-5-methoxy-1,5-dimethyl-hex-3-enyl]-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7,8,12,15,16,17-hexahydro-6h-cyclopenta[a]phenanthren-11-one |
| Molecular Mass | 678.807 g·mol−1 |
| Heat of Formation | -2290.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.72 ± 1.08 D |
| Volume | 818.27 Å 3 |
| Surface Area | 585.99 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | -0.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FSGJPKCVUUKVDV-PCMYLMHSSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |