Thevetin A
TL;DR: Thevetin A (CAS 11018-93-2) is a chemical compound with molecular formula C42H64O19 and molecular weight 872.4042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Thevetin A, Thevetin, EINECS 253-722-5, Cannogenin + L-thevetose + 2-glucose [German], (3beta,5beta)-3-((O-beta-D-glucopyranosyl-(1.6)-O-D-glucopyranosyl-(1.4)-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxocard-20(22)-enolide
Technical Specifications
| Molecular Formula | C42H64O19 |
| Molecular Weight | 872.4042 g/mol |
| XLogP | -3.0 |
| Topological Polar Surface Area (TPSA) | 290.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 872.4042 Da |
| Heavy Atoms | 61 |
| Complexity | 1620.0 |
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O |
| InChIKey | WPNLWBRKPZXVGD-UHFFFAOYSA-N |
Product Description
Applications: Thevetin A is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Thevetin A (CAS 11018-93-2) has the molecular formula C42H64O19 and a molecular weight of 872.4 g/mol. Synonyms include Thevetin A and Thevetin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Thevetin A
Property Insights of Thevetin A
The XLogP value of -3.0 indicates that Thevetin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 290.0 Ų indicates high polarity, suggesting Thevetin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thevetin A has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thevetin A?
The CAS number of Thevetin A is 11018-93-2.
What is the molecular formula of Thevetin A?
The molecular formula of Thevetin A is C42H64O19.
What is the molecular weight of Thevetin A?
The molecular weight of Thevetin A is 872.4042 g/mol.
What are the applications of Thevetin A?
Thevetin A is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Thevetin A?
You can request a quote for Thevetin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thevetin A?
Yes, CoreyChem provides custom synthesis services for Thevetin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.