Strospeside 16-acetate
TL;DR: Strospeside 16-acetate (CAS 4420-67-1) 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.
[3-(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, Vallarosolanoside, Acoschimperoside P, Strospeside 16-acetate, 16-Acetylstrospeside
| 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 | 4420-67-1 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O |
| InChIKey | UZQOZJNEDXAJEZ-UHFFFAOYSA-N |
Product Overview
Strospeside 16-acetate (CAS 4420-67-1), with molecular formula C32H48O10 and molecular weight 592.32 g/mol. IUPAC: [3-(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 Strospeside 16-acetate
Property Insights of Strospeside 16-acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Strospeside 16-acetate. The TPSA of 141.0 Ų indicates high polarity, suggesting Strospeside 16-acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Strospeside 16-acetate 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 Strospeside 16-acetate?
The CAS number of Strospeside 16-acetate is 4420-67-1.
What is the molecular formula of Strospeside 16-acetate?
The molecular formula of Strospeside 16-acetate is C32H48O10.
What is the molecular weight of Strospeside 16-acetate?
The molecular weight of Strospeside 16-acetate is 592.32 g/mol.
Where can I buy Strospeside 16-acetate?
You can request a quote for Strospeside 16-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strospeside 16-acetate?
Yes, KEHONG BIO provides custom synthesis services for Strospeside 16-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.