Javanicin D
TL;DR: Javanicin D (CAS 126167-89-3) is a chemical compound with molecular formula C32H40O12 and molecular weight 616.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
Also Known As: Javanicin D, (-)-Javanicin D, [(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate, 18-Norpicrasan-1-one, 2,12-bis(acetyloxy)-11-((1,3-benzodioxol-5-ylcarbonyl)oxy)-13-hydroxy-16-methoxy-, (2alpha,11alpha,12beta,16beta)-, ((1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo(7.7.1.02,7.013,17)heptadecan-16-yl) 1,3-benzodioxole-5-carboxylate
| Molecular Formula | C32H40O12 |
|---|---|
| Molecular Weight | 616.25 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 616.25195 |
| Heavy Atoms | 44 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 126167-89-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2C[C@@H]3[C@]4([C@@H](C[C@H](O3)OC)[C@]([C@@H]([C@H]([C@@H]4[C@]2(C1=O)C)OC(=O)C5=CC6=C(C=C5)OCO6)OC(=O)C)(C)O)C |
| InChIKey | AXKONZQQIZYBRP-UFYCQJCNSA-N |
Product Overview
Javanicin D (CAS 126167-89-3), with molecular formula C32H40O12 and molecular weight 616.25 g/mol. IUPAC: [(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of Javanicin D
Property Insights of Javanicin D
The XLogP value of 3.2 indicates that Javanicin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting Javanicin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Javanicin D has 1 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 Javanicin D?
The CAS number of Javanicin D is 126167-89-3.
What is the molecular formula of Javanicin D?
The molecular formula of Javanicin D is C32H40O12.
What is the molecular weight of Javanicin D?
The molecular weight of Javanicin D is 616.25 g/mol.
Where can I buy Javanicin D?
You can request a quote for Javanicin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Javanicin D?
Yes, KEHONG BIO provides custom synthesis services for Javanicin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.