3'-O-Methyl-evomonoside
TL;DR: 3'-O-Methyl-evomonoside (CAS 4745-68-0) is a chemical compound with molecular formula C30H46O8 and molecular weight 534.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Neriifolin, 17beta-Neriifolin, 3'-O-Methyl-evomonoside, Digitoxigenin + thevetose, KST-1A4962
| Molecular Formula | C30H46O8 |
|---|---|
| Molecular Weight | 534.32 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.3193 |
| Heavy Atoms | 38 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 4745-68-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O |
| InChIKey | VPUNMTHWNSJUOG-VZCPFXLZSA-N |
Product Overview
3'-O-Methyl-evomonoside (CAS 4745-68-0), with molecular formula C30H46O8 and molecular weight 534.32 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 3'-O-Methyl-evomonoside
Property Insights of 3'-O-Methyl-evomonoside
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-O-Methyl-evomonoside. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-O-Methyl-evomonoside. Following Lipinski's Rule of Five, 3'-O-Methyl-evomonoside has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-O-Methyl-evomonoside?
The CAS number of 3'-O-Methyl-evomonoside is 4745-68-0.
What is the molecular formula of 3'-O-Methyl-evomonoside?
The molecular formula of 3'-O-Methyl-evomonoside is C30H46O8.
What is the molecular weight of 3'-O-Methyl-evomonoside?
The molecular weight of 3'-O-Methyl-evomonoside is 534.32 g/mol.
Where can I buy 3'-O-Methyl-evomonoside?
You can request a quote for 3'-O-Methyl-evomonoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-Methyl-evomonoside?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-Methyl-evomonoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.