5-{[(1S,3S,5E,7E,9Xi,13α,14Beta,17Xi,20S)-1-Hydroxy-20-(3-Hydroxy-3-Methylbutoxy)-9,10-Secopregna-5,7,10-Trien-3-Yl]Oxy}-5-Oxopentanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C31H48O7 |
| IUPAC Name | 5-[(1s,3e,5s)-3-[(2e)-2-[(1s,3ar,7ar)-1-[(1s)-1-(3-hydroxy-3-methyl-butoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylene-cyclohexoxy]-5-oxo-pentanoic acid |
| Molecular Mass | 532.709 g·mol−1 |
| Heat of Formation | -1452.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.67 ± 1.08 D |
| Volume | 693.33 Å 3 |
| Surface Area | 525.75 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | 3.48 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OREIUHIOTGIWFL-QIWSVPBXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |