b-Sitosterol-b-D-glucuronide
TL;DR: b-Sitosterol-b-D-glucuronide (CAS 126251-01-2) is a chemical compound with molecular formula C35H58O7 and molecular weight 590.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: b-Sitosterol-b-D-glucuronide, (2S,3S,4S,5R,6R)-6-[[(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, 6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C35H58O7 |
|---|---|
| Molecular Weight | 590.42 g/mol |
| LogP | 5.9413 |
| Topological Polar Surface Area | 116.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 590.4183 |
| Heavy Atoms | 42 |
| Complexity | 995.82367 |
Chemical Identifiers
| CAS Number | 126251-01-2 |
|---|---|
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C)C(C)C |
Product Overview
b-Sitosterol-b-D-glucuronide (CAS 126251-01-2), with molecular formula C35H58O7 and molecular weight 590.42 g/mol. IUPAC: 6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of b-Sitosterol-b-D-glucuronide
Property Insights of b-Sitosterol-b-D-glucuronide
The XLogP value of 5.9413 indicates that b-Sitosterol-b-D-glucuronide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.45 Ų falls within the moderate polarity range, balancing permeability and solubility for b-Sitosterol-b-D-glucuronide. Following Lipinski's Rule of Five, b-Sitosterol-b-D-glucuronide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of b-Sitosterol-b-D-glucuronide?
The CAS number of b-Sitosterol-b-D-glucuronide is 126251-01-2.
What is the molecular formula of b-Sitosterol-b-D-glucuronide?
The molecular formula of b-Sitosterol-b-D-glucuronide is C35H58O7.
What is the molecular weight of b-Sitosterol-b-D-glucuronide?
The molecular weight of b-Sitosterol-b-D-glucuronide is 590.42 g/mol.
Where can I buy b-Sitosterol-b-D-glucuronide?
You can request a quote for b-Sitosterol-b-D-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for b-Sitosterol-b-D-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for b-Sitosterol-b-D-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.