Glaucarubol
TL;DR: Glaucarubol (CAS 17122-96-2) is a chemical compound with molecular formula C20H28O8 and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,8,16,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
Also Known As: GLAUCARUBOL, pentahydroxy(trimethyl)[?]one, NCI60_001033, 1,2,11,12,15-pentahydroxy-11,20-epoxypicras-3-en-16-one, 1,2,4,10,11-Pentahydroxy-3,8,11a-trimethyl-1,2,3,3a,4,6a,7,7a,10,11,11a,11b-dodecahydro-5H-1,11c-(epoxymethano)dibenzo[de,g]chromen-5-one
| Molecular Formula | C20H28O8 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 396.1784 |
| Heavy Atoms | 28 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 17122-96-2 |
|---|---|
| SMILES | CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(C5O)O)C)C)O)O |
| InChIKey | YJIBLZYQKYKXFP-UHFFFAOYSA-N |
Product Overview
Glaucarubol (CAS 17122-96-2), with molecular formula C20H28O8 and molecular weight 396.18 g/mol. IUPAC: 4,5,8,16,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one.
Chemical Property Profile of Glaucarubol
Property Insights of Glaucarubol
The XLogP value of -1.2 indicates that Glaucarubol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Glaucarubol. Following Lipinski's Rule of Five, Glaucarubol 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 Glaucarubol?
The CAS number of Glaucarubol is 17122-96-2.
What is the molecular formula of Glaucarubol?
The molecular formula of Glaucarubol is C20H28O8.
What is the molecular weight of Glaucarubol?
The molecular weight of Glaucarubol is 396.18 g/mol.
Where can I buy Glaucarubol?
You can request a quote for Glaucarubol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glaucarubol?
Yes, KEHONG BIO provides custom synthesis services for Glaucarubol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.