(8Xi,9β,16Alpha,17Xi)-1,16-Dihydroxy-9,14-Dimethyl-11,20-Dioxo-4,9-Cyclo-9,10-Secopregna-1,3,5(10)-Trien-2-Yl β-D-Glucopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C29H40O10 |
| IUPAC Name | (8s,9r,13r,14r,16r,17r)-17-acetyl-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 | 548.622 g·mol−1 |
| Heat of Formation | -1917.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.64 ± 1.08 D |
| Volume | 643.69 Å 3 |
| Surface Area | 459.74 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | 0.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FKNMUGKCXFULAT-NMFNFECVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |