Germitrine
TL;DR: Germitrine (CAS 560-48-5) is a chemical compound with molecular formula C39H61NO12 and molecular weight 735.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S,9S,10S,12R,13S,14S,16R,19S,22S,23S,25R)-16-acetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-22-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-hydroxy-2-methylbutanoate
Also Known As: Germitrine, Germitrin, Germine 3-(1)-2-methylbutyrate 7-acetate 15(d)-2-hydroxyl-2-methylbutyrate, (5xi,8xi,12xi,13xi,17xi)-7alpha-(Acetyloxy)-4alpha,14,16beta,20-tetrahydroxy-3beta-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-15alpha-yl 2-hydroxy-2-methylbutanoate, 7-(Acetyloxy)-4,14,16,20-tetrahydroxy-3-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-15-yl 2-hydroxy-2-methylbutanoate
| Molecular Formula | C39H61NO12 |
|---|---|
| Molecular Weight | 735.42 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 735.4194 |
| Heavy Atoms | 52 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 560-48-5 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@H]1CC[C@]2(C3[C@@]1(O[C@@]24CC5C6CN7C[C@H](CC[C@H]7[C@@](C6[C@H]([C@@H]([C@]5(C4[C@@H](C3)OC(=O)C)O)OC(=O)C(C)(CC)O)O)(C)O)C)O)C |
| InChIKey | LJPLLMYELFESAN-FLUUMLQVSA-N |
Product Overview
Germitrine (CAS 560-48-5), with molecular formula C39H61NO12 and molecular weight 735.42 g/mol. IUPAC: [(6S,9S,10S,12R,13S,14S,16R,19S,22S,23S,25R)-16-acetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-22-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-hydroxy-2-methylbutanoate.
Chemical Property Profile of Germitrine
Property Insights of Germitrine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Germitrine. The TPSA of 193.0 Ų indicates high polarity, suggesting Germitrine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Germitrine has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Germitrine?
The CAS number of Germitrine is 560-48-5.
What is the molecular formula of Germitrine?
The molecular formula of Germitrine is C39H61NO12.
What is the molecular weight of Germitrine?
The molecular weight of Germitrine is 735.42 g/mol.
Where can I buy Germitrine?
You can request a quote for Germitrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Germitrine?
Yes, KEHONG BIO provides custom synthesis services for Germitrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.