![14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide structure](/static/products/1359/135-95-5.webp)
14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide
TL;DR: 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide (CAS 135-95-5) is a chemical compound with molecular formula C32H48O9 and molecular weight 576.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,13R,17R)-3-[[(4aR,6R,7R,8R)-7,8-dihydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: KST-1A1177, 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide, (3, A,5, A,14xi)-14-hydroxy-3-{[(4xi)-4,6-o-(1-methylethylidene)-
| Molecular Formula | C32H48O9 |
|---|---|
| Molecular Weight | 576.33 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 576.32983 |
| Heavy Atoms | 41 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 135-95-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@@H]([C@H](C7[C@H](O6)COC(O7)(C)C)O)O |
| InChIKey | JZVDSPHUGNIMFE-IJRXRIKWSA-N |
Product Overview
14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide (CAS 135-95-5), with molecular formula C32H48O9 and molecular weight 576.33 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[[(4aR,6R,7R,8R)-7,8-dihydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide
Property Insights of 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide. Following Lipinski's Rule of Five, 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide?
The CAS number of 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide is 135-95-5.
What is the molecular formula of 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide?
The molecular formula of 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide is C32H48O9.
What is the molecular weight of 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide?
The molecular weight of 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide is 576.33 g/mol.
Where can I buy 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide?
You can request a quote for 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 14-Hydroxy-3-{[4,6-O-(1-methylethylidene)hexopyranosyl]oxy}card-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.