(3α,4Beta,5α,6α,7Beta,14Beta,24Xi)-3,4,6,7,29-Pentahydroxy-22,29-Epoxystigmastan-15-One
Properties
Property | Value |
---|---|
Formula | C29H48O7 |
IUPAC Name | (3r,4r,5r,6r,7r,8r,9s,10r,13r,14r,17r)-3,4,6,7-tetrahydroxy-17-[(1s)-1-[(2r,4r,6r)-6-hydroxy-4-isopropyl-tetrahydropyran-2-yl]ethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one |
Molecular Mass | 508.687 g·mol−1 |
Heat of Formation | -1622.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.19 ± 1.08 D |
Volume | 635.28 Å 3 |
Surface Area | 466.34 Å 2 |
HOMO Energy | -9.90 ± 0.55 eV |
LUMO Energy | 3.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | IRHVLQMEQPABHG-DONYAXAESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |