(3β,5Alpha)-18,20-Epoxypregnane-3,20,21-Triol
Properties
| Property | Value |
|---|---|
| Formula | C21H34O4 |
| IUPAC Name | (1r,2s,5s,6r,9r,12s,13s,16r,18r)-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-6,16-diol |
| Molecular Mass | 350.492 g·mol−1 |
| Heat of Formation | -966.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.69 ± 1.08 D |
| Volume | 437.02 Å 3 |
| Surface Area | 338.38 Å 2 |
| HOMO Energy | -10.12 ± 0.55 eV |
| LUMO Energy | 1.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MRRYTJCUHFJPKO-XRAHFOJTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |