(12β)-3,12-Dihydroxy-9,10-Secoandrosta-1,3,5(10)-Triene-9,17-Dione
Properties
Property | Value |
---|---|
Formula | C19H24O4 |
IUPAC Name | (3ar,4s,7r,7ar)-7-hydroxy-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione |
Molecular Mass | 316.391 g·mol−1 |
Heat of Formation | -749.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.05 ± 1.08 D |
Volume | 392.21 Å 3 |
Surface Area | 330.12 Å 2 |
HOMO Energy | -8.98 ± 0.55 eV |
LUMO Energy | 3.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | SCRZLRQVKYXYFZ-SFUIVIKGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |