Shinjulactone A
TL;DR: Shinjulactone A (CAS 89353-91-3) is a chemical compound with molecular formula C20H26O7 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,5R,7S,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
Also Known As: Shinjulactone A, tetrahydroxy-dimethyl-methylene-[?]one, Picrasa-3,13(21)-dien-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-, (1beta,2alpha,11beta,12alpha), 1,2,11,12-Tetrahydroxy-11,20-epoxypicrasa-3,13(21)-dien-16-one, (11R)-11,20-Epoxy-1beta,2alpha,11,12alpha-tetrahydroxypicrasa-3,13(21)-dien-16-one
| Molecular Formula | C20H26O7 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 378.16785 |
| Heavy Atoms | 27 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 89353-91-3 |
|---|---|
| SMILES | CC1=C[C@@H]([C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)C)O)O |
| InChIKey | RSGAOKBKALIZEE-UBJSMSQJSA-N |
Product Overview
Shinjulactone A (CAS 89353-91-3), with molecular formula C20H26O7 and molecular weight 378.17 g/mol. IUPAC: (1S,4R,5R,7S,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one.
Chemical Property Profile of Shinjulactone A
Property Insights of Shinjulactone A
The XLogP value of -1.5 indicates that Shinjulactone A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Shinjulactone A. Following Lipinski's Rule of Five, Shinjulactone A has 4 hydrogen bond donor(s) and 7 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 Shinjulactone A?
The CAS number of Shinjulactone A is 89353-91-3.
What is the molecular formula of Shinjulactone A?
The molecular formula of Shinjulactone A is C20H26O7.
What is the molecular weight of Shinjulactone A?
The molecular weight of Shinjulactone A is 378.17 g/mol.
Where can I buy Shinjulactone A?
You can request a quote for Shinjulactone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shinjulactone A?
Yes, KEHONG BIO provides custom synthesis services for Shinjulactone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.