(17β)-17-(Diisopropylcarbamoyl)Estra-1,3,5(10)-Triene-3-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C26H37NO3 |
| IUPAC Name | (8s,9r,13r,14s,17r)-17-(diisopropylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid |
| Molecular Mass | 411.577 g·mol−1 |
| Heat of Formation | -727.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.56 ± 1.08 D |
| Volume | 530.69 Å 3 |
| Surface Area | 415.14 Å 2 |
| HOMO Energy | -9.16 ± 0.55 eV |
| LUMO Energy | -0.48 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VXKTZBKORWNMBL-PICATGQPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |