澳洲茄边碱
TL;DR: 澳洲茄边碱 (CAS 20311-51-7) is a chemical compound with molecular formula C45H73NO15 and molecular weight 867.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
澳洲茄边碱
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Solamargine, a-Solamargine, Solamargin, beta-Solamarine, Alpha-solamargine
| Molecular Formula | C45H73NO15 |
|---|---|
| Molecular Weight | 867.50 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 867.49805 |
| Heavy Atoms | 61 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 20311-51-7 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1 |
| InChIKey | MBWUSSKCCUMJHO-ZGXDEBHDSA-N |
Product Overview
澳洲茄边碱 (CAS 20311-51-7), with molecular formula C45H73NO15 and molecular weight 867.50 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of 澳洲茄边碱
Property Insights of 澳洲茄边碱
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 澳洲茄边碱. The TPSA of 238.0 Ų indicates high polarity, suggesting 澳洲茄边碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 澳洲茄边碱 has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 澳洲茄边碱?
The CAS number of 澳洲茄边碱 is 20311-51-7.
What is the molecular formula of 澳洲茄边碱?
The molecular formula of 澳洲茄边碱 is C45H73NO15.
What is the molecular weight of 澳洲茄边碱?
The molecular weight of 澳洲茄边碱 is 867.50 g/mol.
Where can I buy 澳洲茄边碱?
You can request a quote for 澳洲茄边碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 澳洲茄边碱?
Yes, KEHONG BIO provides custom synthesis services for 澳洲茄边碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.