Nortrilobolide
TL;DR: Nortrilobolide (CAS 136051-63-3) is a chemical compound with molecular formula C26H36O10 and molecular weight 508.23083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate
Also Known As: Nortrilobolide, [(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate
Technical Specifications
| Molecular Formula | C26H36O10 |
| Molecular Weight | 508.23083 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.23083 Da |
| Heavy Atoms | 36 |
| Complexity | 1030.0 |
| SMILES | CCCC(=O)OC1C[C@@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C |
| InChIKey | WEJWYRUDUWBNIB-YFOIAMABSA-N |
Chemical Property Profile of Nortrilobolide
Property Insights of Nortrilobolide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nortrilobolide. The TPSA of 146.0 Ų indicates high polarity, suggesting Nortrilobolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nortrilobolide has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nortrilobolide?
The CAS number of Nortrilobolide is 136051-63-3.
What is the molecular formula of Nortrilobolide?
The molecular formula of Nortrilobolide is C26H36O10.
What is the molecular weight of Nortrilobolide?
The molecular weight of Nortrilobolide is 508.23083 g/mol.
Where can I buy Nortrilobolide?
You can request a quote for Nortrilobolide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nortrilobolide?
Yes, CoreyChem provides custom synthesis services for Nortrilobolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.