Emicymarin
TL;DR: Emicymarin (CAS 514-42-1) is a chemical compound with molecular formula C30H46O9 and molecular weight 550.3142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Emicymarin, Periplogenin-D-digitalosid, Periplogenin-D-digitalosid [German], 4-18-00-02440 (Beilstein Handbook Reference), 3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Technical Specifications
| Molecular Formula | C30H46O9 |
| Molecular Weight | 550.3142 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 550.3142 Da |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
| SMILES | CC1[C@@H](C(C([C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)O)OC)O |
| InChIKey | MABTYQWWFMMYTE-WQRGQTCUSA-N |
Product Description
Applications: Emicymarin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Emicymarin (CAS 514-42-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, Emicymarin (CAS 514-42-1) has the molecular formula C30H46O9 and a molecular weight of 550.31 g/mol. It is also known as Emicymarin and Periplogenin-D-digitalosid.
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 Emicymarin
Property Insights of Emicymarin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emicymarin. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Emicymarin. Following Lipinski's Rule of Five, Emicymarin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Emicymarin?
The CAS number of Emicymarin is 514-42-1.
What is the molecular formula of Emicymarin?
The molecular formula of Emicymarin is C30H46O9.
What is the molecular weight of Emicymarin?
The molecular weight of Emicymarin is 550.3142 g/mol.
What are the applications of Emicymarin?
Emicymarin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Emicymarin (CAS 514-42-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy Emicymarin?
You can request a quote for Emicymarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Emicymarin?
Yes, CoreyChem provides custom synthesis services for Emicymarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.