Copteroside B
TL;DR: Copteroside B (CAS 85889-27-6) is a chemical compound with molecular formula C36H56O10 and molecular weight 648.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Copteroside B, J2.473.630J, beta-D-Glucopyranosiduronic acid, (3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl, 23,28-Dihydroxy-28-oxoolean-12-en-3-yl hexopyranosiduronic acid, 3beta-(beta-D-Glucopyranuronosyloxy)-23-hydroxyoleana-12-ene-28-oic acid
| Molecular Formula | C36H56O10 |
|---|---|
| Molecular Weight | 648.39 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 648.3873 |
| Heavy Atoms | 46 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 85889-27-6 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O |
| InChIKey | DYFUVQSGLMQLRX-ALBXZGMBSA-N |
Product Overview
Copteroside B (CAS 85889-27-6), with molecular formula C36H56O10 and molecular weight 648.39 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Copteroside B
Property Insights of Copteroside B
The XLogP value of 4.9 indicates that Copteroside B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting Copteroside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Copteroside B has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Copteroside B?
The CAS number of Copteroside B is 85889-27-6.
What is the molecular formula of Copteroside B?
The molecular formula of Copteroside B is C36H56O10.
What is the molecular weight of Copteroside B?
The molecular weight of Copteroside B is 648.39 g/mol.
Where can I buy Copteroside B?
You can request a quote for Copteroside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Copteroside B?
Yes, KEHONG BIO provides custom synthesis services for Copteroside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.