Helveticoside
TL;DR: Helveticoside (CAS 508-76-9) is a chemical compound with molecular formula C29H42O9 and molecular weight 534.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Helveticoside, Erysimotoxin, Erizimin, Erysimin, Corchoroside A
| Molecular Formula | C29H42O9 |
|---|---|
| Molecular Weight | 534.28 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.2829 |
| Heavy Atoms | 38 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 508-76-9 |
|---|---|
| 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)O)O |
| InChIKey | QBILRDAMJUPXCX-OZJKNARASA-N |
Product Overview
Helveticoside (CAS 508-76-9), with molecular formula C29H42O9 and molecular weight 534.28 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Helveticoside
Property Insights of Helveticoside
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Helveticoside. The TPSA of 143.0 Ų indicates high polarity, suggesting Helveticoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Helveticoside has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Helveticoside?
The CAS number of Helveticoside is 508-76-9.
What is the molecular formula of Helveticoside?
The molecular formula of Helveticoside is C29H42O9.
What is the molecular weight of Helveticoside?
The molecular weight of Helveticoside is 534.28 g/mol.
Where can I buy Helveticoside?
You can request a quote for Helveticoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Helveticoside?
Yes, KEHONG BIO provides custom synthesis services for Helveticoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.