QUASSIMARIN
TL;DR: QUASSIMARIN (CAS 59938-97-5) 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.
(12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl) 2-acetyloxy-2-methylbutanoate
Also Known As: QUASSIMARIN, (12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl) 2-acetyloxy-2-methylbutanoate, Picras-3-ene-2, 15-(2-(acetyloxy)-2-methyl-1-oxobutoxy)-13,20-epoxy-1,11,12-trihydroxy-, (1.beta.,11.beta.,12.alpha.,15.beta.)-, Picras-3-ene-2, 15-[(2-acetyloxy)-2-methyl-1-oxobutoxy]-13,20-epoxy-1,11,12-trihydroxy-, (1.beta.,11.beta.,12.alpha.,15.beta.)-
| Molecular Formula | C27H36O11 |
|---|---|
| Molecular Weight | 536.23 g/mol |
| LogP | 0.2 |
| 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 | 59938-97-5 |
|---|---|
| SMILES | CCC(C)(C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C)OC(=O)C |
| InChIKey | FXMIXHYJCNZLFE-UHFFFAOYSA-N |
Product Overview
QUASSIMARIN (CAS 59938-97-5), with molecular formula C27H36O11 and molecular weight 536.23 g/mol. IUPAC: (12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl) 2-acetyloxy-2-methylbutanoate.
Chemical Property Profile of QUASSIMARIN
Property Insights of QUASSIMARIN
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for QUASSIMARIN. The TPSA of 166.0 Ų indicates high polarity, suggesting QUASSIMARIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, QUASSIMARIN 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 QUASSIMARIN?
The CAS number of QUASSIMARIN is 59938-97-5.
What is the molecular formula of QUASSIMARIN?
The molecular formula of QUASSIMARIN is C27H36O11.
What is the molecular weight of QUASSIMARIN?
The molecular weight of QUASSIMARIN is 536.23 g/mol.
Where can I buy QUASSIMARIN?
You can request a quote for QUASSIMARIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for QUASSIMARIN?
Yes, KEHONG BIO provides custom synthesis services for QUASSIMARIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.