Caratuberside B
TL;DR: Caratuberside B (CAS 14098-41-0) is a chemical compound with molecular formula C34H58O12 and molecular weight 658.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-hydroxy-6-[[14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: CARATUBERSIDE B, 14,20-dihydroxypregnan-3-yl 6-deoxy-4-o-hexopyranosyl-3-o-methylhexopyranoside, beta-D-Galactopyranoside, (3beta,14beta)-14,20-dihydroxypregnan-3-yl 6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-, 2-((5-Hydroxy-6-((14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-methoxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 2-[5-hydroxy-6-[[14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C34H58O12 |
|---|---|
| Molecular Weight | 658.39 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 658.3928 |
| Heavy Atoms | 46 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 14098-41-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(C)O)O)C)C)O)OC)OC6C(C(C(C(O6)CO)O)O)O |
| InChIKey | AMDCWRHQFJRCAD-UHFFFAOYSA-N |
Product Overview
Caratuberside B (CAS 14098-41-0), with molecular formula C34H58O12 and molecular weight 658.39 g/mol. IUPAC: 2-[5-hydroxy-6-[[14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Caratuberside B
Property Insights of Caratuberside B
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caratuberside B. The TPSA of 188.0 Ų indicates high polarity, suggesting Caratuberside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caratuberside B has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caratuberside B?
The CAS number of Caratuberside B is 14098-41-0.
What is the molecular formula of Caratuberside B?
The molecular formula of Caratuberside B is C34H58O12.
What is the molecular weight of Caratuberside B?
The molecular weight of Caratuberside B is 658.39 g/mol.
Where can I buy Caratuberside B?
You can request a quote for Caratuberside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caratuberside B?
Yes, KEHONG BIO provides custom synthesis services for Caratuberside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.