Germerine
TL;DR: Germerine (CAS 508-67-8) is a chemical compound with molecular formula C37H59NO11 and molecular weight 693.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6S,9S,10S,11R,12R,13S,15S,16R,19S,22S,23S)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-hydroxy-2-methylbutanoate
Also Known As: Germerine, 4,7,14,16,20-Pentahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl 2-hydroxy-2-methylbutanoate, (5xi,9xi,14xi)-4alpha,7alpha,14,16beta,20-Pentahydroxy-15alpha-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3beta-yl 2-hydroxy-2-methylbutanoate, [(1S,2S,6S,9S,10S,11R,12R,13S,15S,16R,19S,22S,23S)-10,12,14,16,23-Pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-hydroxy-2-methylbutanoate
| Molecular Formula | C37H59NO11 |
|---|---|
| Molecular Weight | 693.41 g/mol |
| LogP | 1.4948 |
| Topological Polar Surface Area | 186.45 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 693.4088 |
| Heavy Atoms | 49 |
| Complexity | 1357.0885 |
Chemical Identifiers
| CAS Number | 508-67-8 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4C1([C@@H]5[C@@H](CC6[C@]7(C5(C4)O[C@@]6([C@H](CC7)OC(=O)C(C)(CC)O)O)C)O)O)O |
Product Overview
Germerine (CAS 508-67-8), with molecular formula C37H59NO11 and molecular weight 693.41 g/mol. IUPAC: [(1S,2S,6S,9S,10S,11R,12R,13S,15S,16R,19S,22S,23S)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-hydroxy-2-methylbutanoate.
Chemical Property Profile of Germerine
Property Insights of Germerine
The XLogP value of 1.4948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Germerine. The TPSA of 186.45 Ų indicates high polarity, suggesting Germerine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Germerine has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Germerine?
The CAS number of Germerine is 508-67-8.
What is the molecular formula of Germerine?
The molecular formula of Germerine is C37H59NO11.
What is the molecular weight of Germerine?
The molecular weight of Germerine is 693.41 g/mol.
Where can I buy Germerine?
You can request a quote for Germerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Germerine?
Yes, KEHONG BIO provides custom synthesis services for Germerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.