Solamarin, beta
TL;DR: Solamarin, beta (CAS 3671-38-3) is a chemical compound with molecular formula C45H73NO15 and molecular weight 867.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Solamargine, beta-Solamarine, SOLAMARIN, BETA, Alpha-solamargine, .beta.-Solamarine
| Molecular Formula | C45H73NO15 |
|---|---|
| Molecular Weight | 867.50 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 867.49805 |
| Heavy Atoms | 61 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 3671-38-3 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1 |
| InChIKey | MBWUSSKCCUMJHO-UHFFFAOYSA-N |
Product Overview
Solamarin, beta (CAS 3671-38-3), with molecular formula C45H73NO15 and molecular weight 867.50 g/mol. IUPAC: 2-[4-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Solamarin, beta
Property Insights of Solamarin, beta
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Solamarin, beta. The TPSA of 238.0 Ų indicates high polarity, suggesting Solamarin, beta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Solamarin, beta has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Solamarin, beta?
The CAS number of Solamarin, beta is 3671-38-3.
What is the molecular formula of Solamarin, beta?
The molecular formula of Solamarin, beta is C45H73NO15.
What is the molecular weight of Solamarin, beta?
The molecular weight of Solamarin, beta is 867.50 g/mol.
Where can I buy Solamarin, beta?
You can request a quote for Solamarin, beta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solamarin, beta?
Yes, KEHONG BIO provides custom synthesis services for Solamarin, beta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.