4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate
TL;DR: 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate (CAS 136060-11-2) is a chemical compound with molecular formula C36H51NO11 and molecular weight 673.3462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,6S,9S,10R,12S,15S,19S,22S,23S)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,5-dimethoxybenzoate
Also Known As: 3-(3,5-Dimethoxybenzoyl)veracevine, Veracevine, 3-(3,5-dimethoxybenzoate)-, Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(3,5-dimethoxybenzoate), (3-beta,4-alpha,16-beta)-, 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate, (5xi,9xi,12xi,14xi,17xi)-4alpha,12,14,16beta,17,20-Hexahydroxy-4,9-epoxycevan-3beta-yl 3,5-dimethoxybenzoate
Technical Specifications
| Molecular Formula | C36H51NO11 |
| Molecular Weight | 673.3462 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 673.3462 Da |
| Heavy Atoms | 48 |
| Complexity | 1320.0 |
| SMILES | C[C@H]1CC[C@H]2[C@@](C3([C@H](CC4([C@@H]5CCC6[C@]7(C5(CC4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)OC(=O)C8=CC(=CC(=C8)OC)OC)O)C)O)O)O)(C)O |
| InChIKey | MODKRPNNWKWXQU-VLNWUIJBSA-N |
Chemical Property Profile of 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate
Property Insights of 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate. The TPSA of 179.0 Ų indicates high polarity, suggesting 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate has 6 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 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate?
The CAS number of 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate is 136060-11-2.
What is the molecular formula of 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate?
The molecular formula of 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate is C36H51NO11.
What is the molecular weight of 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate?
The molecular weight of 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate is 673.3462 g/mol.
Where can I buy 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate?
You can request a quote for 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate?
Yes, CoreyChem provides custom synthesis services for 4,12,14,16,17,20-Hexahydroxy-4,9-epoxycevan-3-yl 3,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.