13,18-Dehydro-6alpha-senecioyloxychaparrin
TL;DR: 13,18-Dehydro-6alpha-senecioyloxychaparrin (CAS 103839-22-1) is a chemical compound with molecular formula C25H32O9 and molecular weight 476.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4R,5R,7S,11S,12R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate
Also Known As: 13,18-Dsoc, 13,18-Dehydro-6alpha-senecioyloxychaparrin, Chaparrin, 13,18-dehydro-6alpha-senecioyloxy-, [(1S,4R,5R,7S,11S,12R,13S,16S,17S,18S,19R)-4,5,16,17-Tetrahydroxy-14,18-dimethyl-6-methylidene-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate, 1,2,11,12-Tetrahydroxy-16-oxo-11,20-epoxypicrasa-3,13(21)-dien-6-yl 3-methylbut-2-enoate
| Molecular Formula | C25H32O9 |
|---|---|
| Molecular Weight | 476.20 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.20462 |
| Heavy Atoms | 34 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 103839-22-1 |
|---|---|
| SMILES | CC1=C[C@@H]([C@H]([C@]2([C@H]1[C@H]([C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)OC(=O)C=C(C)C)C)O)O |
| InChIKey | UDYDQIYSNNAQSU-YSSSMICESA-N |
Product Overview
13,18-Dehydro-6alpha-senecioyloxychaparrin (CAS 103839-22-1), with molecular formula C25H32O9 and molecular weight 476.20 g/mol. IUPAC: [(1S,4R,5R,7S,11S,12R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate.
Chemical Property Profile of 13,18-Dehydro-6alpha-senecioyloxychaparrin
Property Insights of 13,18-Dehydro-6alpha-senecioyloxychaparrin
The XLogP value of -0.4 indicates that 13,18-Dehydro-6alpha-senecioyloxychaparrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 13,18-Dehydro-6alpha-senecioyloxychaparrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13,18-Dehydro-6alpha-senecioyloxychaparrin has 4 hydrogen bond donor(s) and 9 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 13,18-Dehydro-6alpha-senecioyloxychaparrin?
The CAS number of 13,18-Dehydro-6alpha-senecioyloxychaparrin is 103839-22-1.
What is the molecular formula of 13,18-Dehydro-6alpha-senecioyloxychaparrin?
The molecular formula of 13,18-Dehydro-6alpha-senecioyloxychaparrin is C25H32O9.
What is the molecular weight of 13,18-Dehydro-6alpha-senecioyloxychaparrin?
The molecular weight of 13,18-Dehydro-6alpha-senecioyloxychaparrin is 476.20 g/mol.
Where can I buy 13,18-Dehydro-6alpha-senecioyloxychaparrin?
You can request a quote for 13,18-Dehydro-6alpha-senecioyloxychaparrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13,18-Dehydro-6alpha-senecioyloxychaparrin?
Yes, KEHONG BIO provides custom synthesis services for 13,18-Dehydro-6alpha-senecioyloxychaparrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.