RefChem:333570
TL;DR: RefChem:333570 (CAS 79317-29-6) is a chemical compound with molecular formula C37H52O14 and molecular weight 720.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,6R)-3,4,5-triacetyloxy-6-[[(3S,5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate
Also Known As: Digoxigenin-beta-tetraacetyl-D-glucoside, 4-18-00-02456 (Beilstein Handbook Reference), Card-20(22)-enolide, 12,14-dihydroxy-3-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-, (3-beta,5-beta,12-beta)-, 12,14-Dihydroxy-3-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]card-20(22)-enolide, (8xi,9xi)-12beta,14-Dihydroxy-3beta-[(2,3,4,6-tetra-O-acetyl-beta-D-glycero-hexopyranosyl)oxy]-5beta-card-20(22)-enolide
| Molecular Formula | C37H52O14 |
|---|---|
| Molecular Weight | 720.34 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 720.3357 |
| Heavy Atoms | 51 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 79317-29-6 |
|---|---|
| SMILES | CC(=O)OCC1[C@H](C(C([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | VYLIHPCLJRTEJQ-PMGSRBAGSA-N |
Product Overview
RefChem:333570 (CAS 79317-29-6), with molecular formula C37H52O14 and molecular weight 720.34 g/mol. IUPAC: [(3R,6R)-3,4,5-triacetyloxy-6-[[(3S,5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of RefChem:333570
Property Insights of RefChem:333570
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333570. The TPSA of 190.0 Ų indicates high polarity, suggesting RefChem:333570 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:333570 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:333570?
The CAS number of RefChem:333570 is 79317-29-6.
What is the molecular formula of RefChem:333570?
The molecular formula of RefChem:333570 is C37H52O14.
What is the molecular weight of RefChem:333570?
The molecular weight of RefChem:333570 is 720.34 g/mol.
Where can I buy RefChem:333570?
You can request a quote for RefChem:333570 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333570?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333570 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.