13-(Hexopyranosyloxy)kaur-16-en-18-oic acid
TL;DR: 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid (CAS 6635-49-0) is a chemical compound with molecular formula C26H40O8 and molecular weight 480.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,9-dimethyl-14-methylidene-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: Glucosilsteviol, Steviolmonoside, 19-O-beta-D-Glucopyranosyl steviol, 13-(hexopyranosyloxy)kaur-16-en-18-oic acid, Glucopyranoside, 13-hydroxykaur-16-en-19-oate, beta-D-
| Molecular Formula | C26H40O8 |
|---|---|
| Molecular Weight | 480.27 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.2723 |
| Heavy Atoms | 34 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 6635-49-0 |
|---|---|
| SMILES | CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)O)(C)C(=O)O |
| InChIKey | QSIDJGUAAUSPMG-UHFFFAOYSA-N |
Product Overview
13-(Hexopyranosyloxy)kaur-16-en-18-oic acid (CAS 6635-49-0), with molecular formula C26H40O8 and molecular weight 480.27 g/mol. IUPAC: 5,9-dimethyl-14-methylidene-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid
Property Insights of 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid. Following Lipinski's Rule of Five, 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid?
The CAS number of 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid is 6635-49-0.
What is the molecular formula of 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid?
The molecular formula of 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid is C26H40O8.
What is the molecular weight of 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid?
The molecular weight of 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid is 480.27 g/mol.
Where can I buy 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid?
You can request a quote for 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 13-(Hexopyranosyloxy)kaur-16-en-18-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.