Picrasin C
TL;DR: Picrasin C (CAS 33804-89-6) is a chemical compound with molecular formula C23H34O7 and molecular weight 422.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate
Also Known As: Picrasin C, Nigakilactone J, quassin, 2-Hydroxy-12-methoxy-1,16-dioxopicrasan-11-yl acetate, [(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate
| Molecular Formula | C23H34O7 |
|---|---|
| Molecular Weight | 422.23 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.23044 |
| Heavy Atoms | 30 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 33804-89-6 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H]([C@H]([C@@H]([C@@H]4CC(=O)O3)C)OC)OC(=O)C)C)C)O |
| InChIKey | XTAVFXFXCFHNNF-SEMNJSAISA-N |
Product Overview
Picrasin C (CAS 33804-89-6), with molecular formula C23H34O7 and molecular weight 422.23 g/mol. IUPAC: [(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate.
Chemical Property Profile of Picrasin C
Property Insights of Picrasin C
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picrasin C. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Picrasin C. Following Lipinski's Rule of Five, Picrasin C has 1 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 Picrasin C?
The CAS number of Picrasin C is 33804-89-6.
What is the molecular formula of Picrasin C?
The molecular formula of Picrasin C is C23H34O7.
What is the molecular weight of Picrasin C?
The molecular weight of Picrasin C is 422.23 g/mol.
Where can I buy Picrasin C?
You can request a quote for Picrasin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picrasin C?
Yes, KEHONG BIO provides custom synthesis services for Picrasin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.