clinoposaponin VI
TL;DR: clinoposaponin VI (CAS 1836-90-4) is a chemical compound with molecular formula C42H68O13 and molecular weight 780.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[[(2R,4S,5R,13S,18S)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxane-3,4,5-triol
Also Known As: Clinoposaponin VI, KST-1A2207, (2R,3R,4S,5S,6R)-2-[[(2R,4S,5R,13S,18S)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxane-3,4,5-triol, (5xi,9xi,13xi,16, A,17xi,18
| Molecular Formula | C42H68O13 |
|---|---|
| Molecular Weight | 780.47 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 780.466 |
| Heavy Atoms | 55 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 1836-90-4 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2CC[C@]3(C(C2(C)CO)CC[C@@]4(C3C=CC56[C@]4(C[C@H](C7([C@@H]5CC(CC7)(C)C)CO6)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)O)O)O |
| InChIKey | STCPOQVJMHDAOS-ZWOXGIEQSA-N |
Product Overview
clinoposaponin VI (CAS 1836-90-4), with molecular formula C42H68O13 and molecular weight 780.47 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[[(2R,4S,5R,13S,18S)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxane-3,4,5-triol.
Chemical Property Profile of clinoposaponin VI
Property Insights of clinoposaponin VI
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for clinoposaponin VI. The TPSA of 208.0 Ų indicates high polarity, suggesting clinoposaponin VI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, clinoposaponin VI has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of clinoposaponin VI?
The CAS number of clinoposaponin VI is 1836-90-4.
What is the molecular formula of clinoposaponin VI?
The molecular formula of clinoposaponin VI is C42H68O13.
What is the molecular weight of clinoposaponin VI?
The molecular weight of clinoposaponin VI is 780.47 g/mol.
Where can I buy clinoposaponin VI?
You can request a quote for clinoposaponin VI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for clinoposaponin VI?
Yes, KEHONG BIO provides custom synthesis services for clinoposaponin VI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.