Trichilin B
TL;DR: Trichilin B (CAS 77182-69-5) is a chemical compound with molecular formula C35H46O13 and molecular weight 674.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[20,21-diacetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
Also Known As: Trichilin B, Trichilin A, 24-Norchola-20,22-diene-4-carboxaldehyde, 2,3-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,12,19-tetrahydroxy-4,8-dimethyl-11-oxo-, cyclic4,19-(2-methyl-1-oxobutyl acetal), (1alpha,2alpha,3alpha,4beta,5alpha,7alpha,12alpha,13alpha,14beta,15beta,17alpha)-, [20,21-diacetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate, 24-Norchola-20,22-diene-4-carboxaldehyde, 2,3-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,12,19-tetrahydroxy-4,8-dimethyl-11-oxo-, cyclic4,19-(2-methyl-1-oxobutyl acetal), (1alpha,2alpha,3alpha,4beta,5alpha,7alpha,12beta,13alpha,14beta,15beta,17alpha)-
| Molecular Formula | C35H46O13 |
|---|---|
| Molecular Weight | 674.29 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 674.2938 |
| Heavy Atoms | 48 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 77182-69-5 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(C(C2OC(=O)C)OC(=O)C)O)C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)O)C)O)C |
| InChIKey | AYBKFVIPPCLFDH-UHFFFAOYSA-N |
Product Overview
Trichilin B (CAS 77182-69-5), with molecular formula C35H46O13 and molecular weight 674.29 g/mol. IUPAC: [20,21-diacetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate.
Chemical Property Profile of Trichilin B
Property Insights of Trichilin B
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichilin B. The TPSA of 192.0 Ų indicates high polarity, suggesting Trichilin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trichilin B has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trichilin B?
The CAS number of Trichilin B is 77182-69-5.
What is the molecular formula of Trichilin B?
The molecular formula of Trichilin B is C35H46O13.
What is the molecular weight of Trichilin B?
The molecular weight of Trichilin B is 674.29 g/mol.
Where can I buy Trichilin B?
You can request a quote for Trichilin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichilin B?
Yes, KEHONG BIO provides custom synthesis services for Trichilin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.