Emblicanin A
TL;DR: Emblicanin A (CAS 180465-44-5) is a chemical compound with molecular formula C34H22O22 and molecular weight 782.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5,21,22,23-hexahydroxy-8,13,18-trioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,11,19,21-heptaen-11-yl] 3,4,5-trihydroxybenzoate
Also Known As: Emblicanin A, d-Erythro-hex-2-enonic acid, [(10R,15R)-3,4,5,21,22,23-hexahydroxy-8,13,18-trioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,11,19,21-heptaen-11-yl] 3,4,5-trihydroxybenzoate, [3,4,5,21,22,23-Hexahydroxy-8,13,18-trioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,11,19,21-heptaen-11-yl] 3,4,5-trihydroxybenzoate, 2,3,4,5,6,7-Hexahydroxy-9,13,17-trioxo-9,11,11a,13,15a,17-hexahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-14,15-diyl bis(3,4,5-trihydroxybenzoate)
| Molecular Formula | C34H22O22 |
|---|---|
| Molecular Weight | 782.06 g/mol |
| LogP | 1.3676 |
| Topological Polar Surface Area | 374.26 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 4 |
| Exact Mass | 782.0603 |
| Heavy Atoms | 56 |
| Complexity | 2416.795 |
Chemical Identifiers
| CAS Number | 180465-44-5 |
|---|---|
| SMILES | C1C2C(C(=C(C(=O)O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
Product Overview
Emblicanin A (CAS 180465-44-5), with molecular formula C34H22O22 and molecular weight 782.06 g/mol. IUPAC: [3,4,5,21,22,23-hexahydroxy-8,13,18-trioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,11,19,21-heptaen-11-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Emblicanin A
Property Insights of Emblicanin A
The XLogP value of 1.3676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emblicanin A. The TPSA of 374.26 Ų indicates high polarity, suggesting Emblicanin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emblicanin A has 12 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Emblicanin A?
The CAS number of Emblicanin A is 180465-44-5.
What is the molecular formula of Emblicanin A?
The molecular formula of Emblicanin A is C34H22O22.
What is the molecular weight of Emblicanin A?
The molecular weight of Emblicanin A is 782.06 g/mol.
Where can I buy Emblicanin A?
You can request a quote for Emblicanin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emblicanin A?
Yes, KEHONG BIO provides custom synthesis services for Emblicanin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.