![4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate] structure](/static/products/4657/465-75-8.webp)
4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]
TL;DR: 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate] (CAS 465-75-8) is a chemical compound with molecular formula C41H63NO14 and molecular weight 793.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[16-acetyloxy-10,12,14,23-tetrahydroxy-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] 3-acetyloxy-2-hydroxy-2-methylbutanoate
Also Known As: 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]
| Molecular Formula | C41H63NO14 |
|---|---|
| Molecular Weight | 793.42 g/mol |
| LogP | 1.6072 |
| Topological Polar Surface Area | 218.82 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 793.42487 |
| Heavy Atoms | 56 |
| Complexity | 1619.3009 |
Chemical Identifiers
| CAS Number | 465-75-8 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(CC6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(C(C)OC(=O)C)O)O)C)OC(=O)C)O)O |
Product Overview
4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate] (CAS 465-75-8), with molecular formula C41H63NO14 and molecular weight 793.42 g/mol. IUPAC: [16-acetyloxy-10,12,14,23-tetrahydroxy-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] 3-acetyloxy-2-hydroxy-2-methylbutanoate.
Chemical Property Profile of 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]
Property Insights of 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]
The XLogP value of 1.6072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]. The TPSA of 218.82 Ų indicates high polarity, suggesting 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate] has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]?
The CAS number of 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate] is 465-75-8.
What is the molecular formula of 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]?
The molecular formula of 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate] is C41H63NO14.
What is the molecular weight of 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]?
The molecular weight of 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate] is 793.42 g/mol.
Where can I buy 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]?
You can request a quote for 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]?
Yes, KEHONG BIO provides custom synthesis services for 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-heptol 7-acetate 3-[(2S,3R)-3-acetoxy-2-hydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.