Cymarin
Properties
Property | Value |
---|---|
Formula | C30H44O9 |
IUPAC Name | (3s,5s,8r,9s,10s,13r,14s,17r)-5,14-dihydroxy-3-[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde |
Molecular Mass | 548.665 g·mol−1 |
Heat of Formation | -1738.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.80 ± 1.08 D |
Volume | 648.05 Å 3 |
Surface Area | 488.17 Å 2 |
HOMO Energy | -9.79 ± 0.55 eV |
LUMO Energy | 2.83 ± eV |
Point Group Symmetry | C1 |
InChIKey | XQCGNURMLWFQJR-ZEWWYMEZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |