2'-Acetylglaucarubinone
TL;DR: 2'-Acetylglaucarubinone (CAS 33957-83-4) is a chemical compound with molecular formula C27H36O11 and molecular weight 536.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-acetyloxy-2-methylbutanoate
Also Known As: 2'-Acetylglaucarubinone, Picras-3-ene-2,16-dione, 15-(2-(acetyloxy)-2-methyl-1-oxobutoxy)-11,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12alpha,14beta)-, 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-(acetyloxy)-2-methylbutanoate, 1beta,11,12alpha-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15beta-yl 2-(acetyloxy)-2-methylbutanoate
| Molecular Formula | C27H36O11 |
|---|---|
| Molecular Weight | 536.23 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.22577 |
| Heavy Atoms | 38 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 33957-83-4 |
|---|---|
| SMILES | CCC(C)(C(=O)O[C@@H]1[C@H]2[C@H]([C@H](C3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C)OC(=O)C |
| InChIKey | MYXSXBKEINPXNR-CRXXLAPSSA-N |
Product Overview
2'-Acetylglaucarubinone (CAS 33957-83-4), with molecular formula C27H36O11 and molecular weight 536.23 g/mol. IUPAC: [(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-acetyloxy-2-methylbutanoate.
Chemical Property Profile of 2'-Acetylglaucarubinone
Property Insights of 2'-Acetylglaucarubinone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Acetylglaucarubinone. The TPSA of 166.0 Ų indicates high polarity, suggesting 2'-Acetylglaucarubinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Acetylglaucarubinone has 3 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 2'-Acetylglaucarubinone?
The CAS number of 2'-Acetylglaucarubinone is 33957-83-4.
What is the molecular formula of 2'-Acetylglaucarubinone?
The molecular formula of 2'-Acetylglaucarubinone is C27H36O11.
What is the molecular weight of 2'-Acetylglaucarubinone?
The molecular weight of 2'-Acetylglaucarubinone is 536.23 g/mol.
Where can I buy 2'-Acetylglaucarubinone?
You can request a quote for 2'-Acetylglaucarubinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Acetylglaucarubinone?
Yes, KEHONG BIO provides custom synthesis services for 2'-Acetylglaucarubinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.