3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate
TL;DR: 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate (CAS 49717-92-2) is a chemical compound with molecular formula C34H53NO10 and molecular weight 635.37 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)-22-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-methylbutanoate
Also Known As: Germidin, Germidine, Germidine (alkaloid), KST-1A5057, (3
| Molecular Formula | C34H53NO10 |
|---|---|
| Molecular Weight | 635.37 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 635.36694 |
| Heavy Atoms | 45 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 49717-92-2 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@H]1[C@@H](C2C(CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)C4[C@@]1(C5[C@@H](CC6[C@]7([C@]5(C4)O[C@@]6([C@H](CC7)OC(=O)C)O)C)O)O)O |
| InChIKey | OPCXCFMPHIBOMS-JAYPKBCLSA-N |
Product Overview
3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate (CAS 49717-92-2), with molecular formula C34H53NO10 and molecular weight 635.37 g/mol. IUPAC: [(6S,9S,10S,12R,13S,14S,16R,19S,22S,23S,25R)-22-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-methylbutanoate.
Chemical Property Profile of 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate
Property Insights of 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate. The TPSA of 166.0 Ų indicates high polarity, suggesting 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate?
The CAS number of 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate is 49717-92-2.
What is the molecular formula of 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate?
The molecular formula of 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate is C34H53NO10.
What is the molecular weight of 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate?
The molecular weight of 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate is 635.37 g/mol.
Where can I buy 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate?
You can request a quote for 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.