Juncin E
TL;DR: Juncin E (CAS 129602-22-8) is a chemical compound with molecular formula C30H37ClO14 and molecular weight 656.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4R,7R,8S,10Z,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-12-yl] acetate
Also Known As: Juncin E, (-)-Juncin E, [(1S,2S,3R,4R,7R,8S,10Z,12S,13S,14R,15R,16R)-2,14,15,16-Tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-12-yl] acetate, ((1S,2R,3R,4R,7R,8S,10Z,12R,13R,14S,16R,17R)-2,12,14-triacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro(6-oxatricyclo(11.4.0.03,7)heptadec-10-ene-17,2'-oxirane)-16-yl) 3-methylbutanoate, [(1S,2R,3R,4R,7R,8S,10Z,12R,13R,14S,16R,17R)-2,12,14-triacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-16-yl] 3-methylbutanoate
| Molecular Formula | C30H37ClO14 |
|---|---|
| Molecular Weight | 656.19 g/mol |
| LogP | 1.076 |
| Topological Polar Surface Area | 190.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 656.1872 |
| Heavy Atoms | 45 |
| Complexity | 1337.3949 |
Chemical Identifiers
| CAS Number | 129602-22-8 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@@H]2[C@@]1([C@H]([C@@H]3[C@@]([C@H](/C=C\C(=C)[C@@H]2Cl)OC(=O)C)([C@H]([C@H]([C@H](C34CO4)OC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)O |
Product Overview
Juncin E (CAS 129602-22-8), with molecular formula C30H37ClO14 and molecular weight 656.19 g/mol. IUPAC: [(1S,2S,3R,4R,7R,8S,10Z,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-12-yl] acetate.
Chemical Property Profile of Juncin E
Property Insights of Juncin E
The XLogP value of 1.076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Juncin E. The TPSA of 190.56 Ų indicates high polarity, suggesting Juncin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Juncin E has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Juncin E?
The CAS number of Juncin E is 129602-22-8.
What is the molecular formula of Juncin E?
The molecular formula of Juncin E is C30H37ClO14.
What is the molecular weight of Juncin E?
The molecular weight of Juncin E is 656.19 g/mol.
Where can I buy Juncin E?
You can request a quote for Juncin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Juncin E?
Yes, KEHONG BIO provides custom synthesis services for Juncin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.