(3β,8Xi,12β,14β)-3,8,14,17,20-Pentahydroxypregn-5-En-12-Yl (2E)-3-Phenylacrylate
Properties
Property | Value |
---|---|
Formula | C30H40O7 |
IUPAC Name | [(3s,8s,9r,10r,12r,13r,14r,17s)-3,8,14,17-tetrahydroxy-17-[(1r)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (e)-3-phenylprop-2-enoate |
Molecular Mass | 512.634 g·mol−1 |
Heat of Formation | -1332.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.75 ± 1.08 D |
Volume | 608.67 Å 3 |
Surface Area | 472.82 Å 2 |
HOMO Energy | -9.38 ± 0.55 eV |
LUMO Energy | 2.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | CSSZPOBBUXFMAA-JWBRRKRUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |