Amoorastatone
TL;DR: Amoorastatone (CAS 71590-46-0) is a chemical compound with molecular formula C28H36O9 and molecular weight 516.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(furan-3-yl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate
Also Known As: Amoorastatone, [6-(Furan-3-yl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate, 24-Norchola-20,22-diene-4-carboxaldehyde, 3-(acetyloxy)-21,23-epoxy-1,7,19-trihydroxy-4,8-dimethyl-11,15-dioxo-, cyclic 4,19-hemiacetal, 1-(Furan-3-yl)-4,9,14-trihydroxy-3b,6,11a-trimethyl-3,10-dioxohexadecahydro-6,9a-(methanooxymethano)cyclopenta[a]phenanthren-7-yl acetate, 17-(Furan-3-yl)-1,7,20-trihydroxy-4,8,13-trimethyl-11,15-dioxohexadecahydro-4,10-(methanooxymethano)cyclopenta[a]phenanthren-3-yl acetate
| Molecular Formula | C28H36O9 |
|---|---|
| Molecular Weight | 516.24 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.23596 |
| Heavy Atoms | 37 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 71590-46-0 |
|---|---|
| SMILES | CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)CC5(C4C(=O)CC5C6=COC=C6)C)C)O)C)O)O |
| InChIKey | AVCDQWFQBMQSRK-UHFFFAOYSA-N |
Product Overview
Amoorastatone (CAS 71590-46-0), with molecular formula C28H36O9 and molecular weight 516.24 g/mol. IUPAC: [6-(furan-3-yl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate.
Chemical Property Profile of Amoorastatone
Property Insights of Amoorastatone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amoorastatone. The TPSA of 144.0 Ų indicates high polarity, suggesting Amoorastatone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amoorastatone has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amoorastatone?
The CAS number of Amoorastatone is 71590-46-0.
What is the molecular formula of Amoorastatone?
The molecular formula of Amoorastatone is C28H36O9.
What is the molecular weight of Amoorastatone?
The molecular weight of Amoorastatone is 516.24 g/mol.
Where can I buy Amoorastatone?
You can request a quote for Amoorastatone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amoorastatone?
Yes, KEHONG BIO provides custom synthesis services for Amoorastatone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.