Woodrosin I
TL;DR: Woodrosin I (CAS 156057-51-1) is a chemical compound with molecular formula C66H112O30 and molecular weight 1384.7239 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-[[4,10,11,29,30,39-hexahydroxy-5,12,31-tris(hydroxymethyl)-37,38-bis(2-methylbutanoyloxy)-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo[34.3.1.13,7.09,14.028,33]hentetracontan-41-yl]oxy]-4-hydroxy-2-methyl-5-(2-methylbutanoyloxy)oxan-3-yl] 2-methylbutanoate
Also Known As: Woodrosin I, Thymine-methyl-d3-6-d, Hexadecanoic acid, 11-((O-6-deoxy-2,4-bis-O-((S)-2-methyl-1-oxobutyl)-alpha-L-mannopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-6)-3,4 bis-O-((S)-2-methyl-1-oxobutyl)-beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-2)-beta-D-glcopyranosyl)oxy)-, intramol. 1-2''''-ester, (S)-, Jalapinolic acid 11-O-glucopyranosyl-1-6-O-(3,4-di-O-2-methylbutyryl)glucopyranosyl-1-3-O-((2,4-di-O-2-methylbutyryl)rhamnopyranosyl-1-2)-O-glucopyranosyl-1-2-glucopyranoside intramolecular 1,2'''''-ester, (S)-Intramol. 1-2''''-11-((O-6-deoxy-2,4-bis-O-((S)-2-methyl-1-oxobutyl)-alpha-L-mannopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-6)-3,4-bis-D-((S)-2-methyl-1-oxobutyl)-beta-D-glopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-2)-beta-D-glucopyranosyl)oxy)hexadecanoate
Technical Specifications
| Molecular Formula | C66H112O30 |
| Molecular Weight | 1384.7239 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 426.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 25 |
| Exact Mass | 1384.7239 Da |
| Heavy Atoms | 96 |
| Complexity | 2340.0 |
| SMILES | CCCCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC4C(C(OC(C4OC5C(C(C(C(O5)C)OC(=O)C(C)CC)O)OC(=O)C(C)CC)OC6C(C(C(OC6O1)CO)O)O)CO)O)O)OC(=O)C(C)CC)OC(=O)C(C)CC)CO)O)O |
| InChIKey | MQNTUHJXSGSICT-UHFFFAOYSA-N |
Chemical Property Profile of Woodrosin I
Property Insights of Woodrosin I
The XLogP value of 5.9 indicates that Woodrosin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 426.0 Ų indicates high polarity, suggesting Woodrosin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Woodrosin I has 10 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Woodrosin I?
The CAS number of Woodrosin I is 156057-51-1.
What is the molecular formula of Woodrosin I?
The molecular formula of Woodrosin I is C66H112O30.
What is the molecular weight of Woodrosin I?
The molecular weight of Woodrosin I is 1384.7239 g/mol.
Where can I buy Woodrosin I?
You can request a quote for Woodrosin I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Woodrosin I?
Yes, CoreyChem provides custom synthesis services for Woodrosin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.