Decentapicrin C
TL;DR: Decentapicrin C (CAS 77533-66-5) is a chemical compound with molecular formula C23H26O11 and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-hydroxybenzoate
Also Known As: Decentapicrin C, [(2R,3S,4S,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-hydroxybenzoate, 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-((6-O-(3-hydroxybenzoyl)-beta-D-glucopyranosyl)oxy)-, (4aS,5R,6S)-, ((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl 3-hydroxybenzoate, ((2R,3S,4S,5R,6S)-6-(((3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano(3,4-c)pyran-3-yl)oxy)-3,4,5-trihydroxyoxan-2-yl)methyl 3-hydroxybenzoate
| Molecular Formula | C23H26O11 |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.14752 |
| Heavy Atoms | 34 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 77533-66-5 |
|---|---|
| SMILES | C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=CC=C4)O)O)O)O |
| InChIKey | LLCUFGHGNKZIQM-RUNRASHISA-N |
Product Overview
Decentapicrin C (CAS 77533-66-5), with molecular formula C23H26O11 and molecular weight 478.15 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-hydroxybenzoate.
Chemical Property Profile of Decentapicrin C
Property Insights of Decentapicrin C
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decentapicrin C. The TPSA of 161.0 Ų indicates high polarity, suggesting Decentapicrin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Decentapicrin C has 4 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 Decentapicrin C?
The CAS number of Decentapicrin C is 77533-66-5.
What is the molecular formula of Decentapicrin C?
The molecular formula of Decentapicrin C is C23H26O11.
What is the molecular weight of Decentapicrin C?
The molecular weight of Decentapicrin C is 478.15 g/mol.
Where can I buy Decentapicrin C?
You can request a quote for Decentapicrin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decentapicrin C?
Yes, KEHONG BIO provides custom synthesis services for Decentapicrin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.