![3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide structure](/static/products/1366/1366-99-0.webp)
3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide
TL;DR: 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide (CAS 1366-99-0) is a chemical compound with molecular formula C29H42O11 and molecular weight 566.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Hadacidin, beta-Antiarin, Antiarigenin + L-rhamnose [German], 3-[(6-deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide, 3-[(6-deoxy-L-mannopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide
| Molecular Formula | C29H42O11 |
|---|---|
| Molecular Weight | 566.27 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 566.2727 |
| Heavy Atoms | 40 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 1366-99-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O |
| InChIKey | MFIXZHBJWSBQJA-UHFFFAOYSA-N |
Product Overview
3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide (CAS 1366-99-0), with molecular formula C29H42O11 and molecular weight 566.27 g/mol. IUPAC: 5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide
Property Insights of 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide
The XLogP value of -1.8 indicates that 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide?
The CAS number of 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide is 1366-99-0.
What is the molecular formula of 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide?
The molecular formula of 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide is C29H42O11.
What is the molecular weight of 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide?
The molecular weight of 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide is 566.27 g/mol.
Where can I buy 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide?
You can request a quote for 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.