15-Demethyl plumieride
TL;DR: 15-Demethyl plumieride (CAS 133738-37-1) is a chemical compound with molecular formula C20H24O12 and molecular weight 456.12677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1S,4aS,7R,7aS)-4'-(hydroxymethyl)-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Also Known As: Iridoid, Iridoids, 15-Demethyl plumieride, Secoiridoids, Iridoid Aglycones
Technical Specifications
| Molecular Formula | C20H24O12 |
| Molecular Weight | 456.12677 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.12677 Da |
| Heavy Atoms | 32 |
| Complexity | 865.0 |
| SMILES | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C=C[C@@]23C=C(C(=O)O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | XFIOZCMKPNZOII-RJMCEWFISA-N |
Chemical Property Profile of 15-Demethyl plumieride
Property Insights of 15-Demethyl plumieride
The XLogP value of -1.6 indicates that 15-Demethyl plumieride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting 15-Demethyl plumieride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 15-Demethyl plumieride has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 15-Demethyl plumieride?
The CAS number of 15-Demethyl plumieride is 133738-37-1.
What is the molecular formula of 15-Demethyl plumieride?
The molecular formula of 15-Demethyl plumieride is C20H24O12.
What is the molecular weight of 15-Demethyl plumieride?
The molecular weight of 15-Demethyl plumieride is 456.12677 g/mol.
Where can I buy 15-Demethyl plumieride?
You can request a quote for 15-Demethyl plumieride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 15-Demethyl plumieride?
Yes, CoreyChem provides custom synthesis services for 15-Demethyl plumieride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.