(5Xi,16α,20S)-16-Hydroxy-24-Methylene-3-Oxolanosta-7,9(11)-Dien-21-Oic Acid
Properties
Property | Value |
---|---|
Formula | C31H46O4 |
IUPAC Name | (2r)-2-[(5s,10s,13r,14r,16r,17r)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylene-heptanoic acid |
Molecular Mass | 482.695 g·mol−1 |
Heat of Formation | -884.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.05 ± 1.08 D |
Volume | 631.27 Å 3 |
Surface Area | 470.16 Å 2 |
HOMO Energy | -8.86 ± 0.55 eV |
LUMO Energy | 3.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | KPKYWYZPIVAHKU-QHZMIEPDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |