Karajinone A
TL;DR: Karajinone A (CAS 212842-86-9) is a chemical compound with molecular formula C35H42O12 and molecular weight 654.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3R,4S,5S,7R,9S,10R,11S,12R,13S,15R)-2,4,7-triacetyloxy-12-(acetyloxymethyl)-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadecan-15-yl] benzoate
Also Known As: Karajinone A, 15-Acetylkarajinone B, NCI60_038572, ((1R,2R,3R,4S,5S,7R,9S,10R,11S,12R,13S,15R)-2,4,7-triacetyloxy-12-(acetyloxymethyl)-5,9,12-trimethyl-8-oxo-17-oxapentacyclo(7.6.2.01,10.03,7.011,13)heptadecan-15-yl) benzoate, (1R,2R,3R,4S,5S,7R,9R,10R,11S,12R,13S,15R)-2,4,7-Tris(acetyloxy)-12-((acetyloxy)methyl)-5,9,12-trimethyl-8-oxo-17-oxapentacyclo(7.6.2.0,.0,.0,)heptadecan-15-yl benzoic acid
| Molecular Formula | C35H42O12 |
|---|---|
| Molecular Weight | 654.27 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 654.26764 |
| Heavy Atoms | 47 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 212842-86-9 |
|---|---|
| SMILES | C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H]([C@@]34CO[C@@]([C@@H]3[C@@H]5[C@@H]([C@@]5(C)COC(=O)C)C[C@H]4OC(=O)C6=CC=CC=C6)(C2=O)C)OC(=O)C)OC(=O)C |
| InChIKey | HBLTZTMUODEVKI-FKTGXNKUSA-N |
Product Overview
Karajinone A (CAS 212842-86-9), with molecular formula C35H42O12 and molecular weight 654.27 g/mol. IUPAC: [(1R,2R,3R,4S,5S,7R,9S,10R,11S,12R,13S,15R)-2,4,7-triacetyloxy-12-(acetyloxymethyl)-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadecan-15-yl] benzoate.
Chemical Property Profile of Karajinone A
Property Insights of Karajinone A
The XLogP value of 3.5 indicates that Karajinone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Karajinone A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Karajinone A has 0 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 Karajinone A?
The CAS number of Karajinone A is 212842-86-9.
What is the molecular formula of Karajinone A?
The molecular formula of Karajinone A is C35H42O12.
What is the molecular weight of Karajinone A?
The molecular weight of Karajinone A is 654.27 g/mol.
Where can I buy Karajinone A?
You can request a quote for Karajinone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Karajinone A?
Yes, KEHONG BIO provides custom synthesis services for Karajinone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.