Isoterchebin
TL;DR: Isoterchebin (CAS 58690-20-3) is a chemical compound with molecular formula C41H30O27 and molecular weight 954.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,8R,10S,11R,12S,13R,22S)-1,18,19,23,23-pentahydroxy-2,5,15-trioxo-10,11-bis[(3,4,5-trihydroxybenzoyl)oxy]-6,9,14,24-tetraoxapentacyclo[18.3.1.04,22.08,13.016,21]tetracosa-3,16,18,20-tetraen-12-yl] 3,4,5-trihydroxybenzoate
Also Known As: Isoterchebin, Trapain, [(1S,8R,10S,11R,12S,13R,22S)-1,18,19,23,23-pentahydroxy-2,5,15-trioxo-10,11-bis[(3,4,5-trihydroxybenzoyl)oxy]-6,9,14,24-tetraoxapentacyclo[18.3.1.04,22.08,13.016,21]tetracosa-3,16,18,20-tetraen-12-yl] 3,4,5-trihydroxybenzoate, (1S,8R,10S,11R,12S,13R,22R)-1,18,19,23,23-Pentahydroxy-2,5,15-trioxo-10,11-bis(3,4,5-trihydroxybenzoyloxy)-6,9,14,24-tetraoxapentacyclo(18.3.1.0,.0,.0,)tetracosa-3,16,18,20-tetraen-12-yl 3,4,5-trihydroxybenzoic acid, (1S,8R,10S,11R,12S,13R,22R)-1,18,19,23,23-Pentahydroxy-2,5,15-trioxo-10,11-bis(3,4,5-trihydroxybenzoyloxy)-6,9,14,24-tetraoxapentacyclo[18.3.1.0,.0,.0,]tetracosa-3,16,18,20-tetraen-12-yl 3,4,5-trihydroxybenzoic acid
| Molecular Formula | C41H30O27 |
|---|---|
| Molecular Weight | 954.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 450.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 9 |
| Exact Mass | 954.0975 |
| Heavy Atoms | 68 |
| Complexity | 1990.0 |
Chemical Identifiers
| CAS Number | 58690-20-3 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C7=C6[C@H]8C(=CC(=O)[C@](C8(O)O)(O7)O)C(=O)O1)O)O |
| InChIKey | QFJVFTCFAZSXCY-KUZSCSPXSA-N |
Product Overview
Isoterchebin (CAS 58690-20-3), with molecular formula C41H30O27 and molecular weight 954.10 g/mol. IUPAC: [(1S,8R,10S,11R,12S,13R,22S)-1,18,19,23,23-pentahydroxy-2,5,15-trioxo-10,11-bis[(3,4,5-trihydroxybenzoyl)oxy]-6,9,14,24-tetraoxapentacyclo[18.3.1.04,22.08,13.016,21]tetracosa-3,16,18,20-tetraen-12-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Isoterchebin
Property Insights of Isoterchebin
The XLogP value of -0.3 indicates that Isoterchebin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 450.0 Ų indicates high polarity, suggesting Isoterchebin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoterchebin has 14 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoterchebin?
The CAS number of Isoterchebin is 58690-20-3.
What is the molecular formula of Isoterchebin?
The molecular formula of Isoterchebin is C41H30O27.
What is the molecular weight of Isoterchebin?
The molecular weight of Isoterchebin is 954.10 g/mol.
Where can I buy Isoterchebin?
You can request a quote for Isoterchebin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoterchebin?
Yes, KEHONG BIO provides custom synthesis services for Isoterchebin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.