clinoposaponin XI
TL;DR: clinoposaponin XI (CAS 19686-49-8) is a chemical compound with molecular formula C48H78O17 and molecular weight 926.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,10S,13S,14R,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Clinoposaponin XI, (+)-Clinoposaponin XI, KST-1A2463, (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,10S,13S,14R,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, (3
| Molecular Formula | C48H78O17 |
|---|---|
| Molecular Weight | 926.52 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 926.5239 |
| Heavy Atoms | 65 |
| Complexity | 1780.0 |
Chemical Identifiers
| CAS Number | 19686-49-8 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3C=CC56[C@]4(C[C@@H](C7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O |
| InChIKey | UKBCURZIYXTEHQ-OPWJELMASA-N |
Product Overview
clinoposaponin XI (CAS 19686-49-8), with molecular formula C48H78O17 and molecular weight 926.52 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,10S,13S,14R,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of clinoposaponin XI
Property Insights of clinoposaponin XI
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for clinoposaponin XI. The TPSA of 267.0 Ų indicates high polarity, suggesting clinoposaponin XI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, clinoposaponin XI has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of clinoposaponin XI?
The CAS number of clinoposaponin XI is 19686-49-8.
What is the molecular formula of clinoposaponin XI?
The molecular formula of clinoposaponin XI is C48H78O17.
What is the molecular weight of clinoposaponin XI?
The molecular weight of clinoposaponin XI is 926.52 g/mol.
Where can I buy clinoposaponin XI?
You can request a quote for clinoposaponin XI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for clinoposaponin XI?
Yes, KEHONG BIO provides custom synthesis services for clinoposaponin XI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.