Neritaloside
TL;DR: Neritaloside (CAS 465-13-4) is a chemical compound with molecular formula C32H48O10 and molecular weight 592.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Also Known As: Neritaloside, Acoschimperoside P, 16-Acetylstrospeside, Strospeside, 16-acetate, [(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
| Molecular Formula | C32H48O10 |
|---|---|
| Molecular Weight | 592.32 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 592.32477 |
| Heavy Atoms | 42 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 465-13-4 |
|---|---|
| SMILES | CC1[C@@H](C(C([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(C[C@@H](C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O |
| InChIKey | UZQOZJNEDXAJEZ-VJPDVXMKSA-N |
Product Overview
Neritaloside (CAS 465-13-4), with molecular formula C32H48O10 and molecular weight 592.32 g/mol. IUPAC: [(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate.
Chemical Property Profile of Neritaloside
Property Insights of Neritaloside
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neritaloside. The TPSA of 141.0 Ų indicates high polarity, suggesting Neritaloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neritaloside has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neritaloside?
The CAS number of Neritaloside is 465-13-4.
What is the molecular formula of Neritaloside?
The molecular formula of Neritaloside is C32H48O10.
What is the molecular weight of Neritaloside?
The molecular weight of Neritaloside is 592.32 g/mol.
Where can I buy Neritaloside?
You can request a quote for Neritaloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neritaloside?
Yes, KEHONG BIO provides custom synthesis services for Neritaloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.