Helveticosol
TL;DR: Helveticosol (CAS 18695-02-8) is a chemical compound with molecular formula C29H44O9 and molecular weight 536.2985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methylspiro[1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-2H-pyran]-6'-one
Also Known As: Helveticosol, Digitoxigenin monodigitoxose, 3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methylspiro[1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-2H-pyran]-6'-one, (3beta,5beta)-3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide, 5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-6'-oxo-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-6'h-spiro[cyclopenta[a]phenanthrene-17,3'-pyran]-3-yl 2,6-dideoxyhexopyranoside
Technical Specifications
| Molecular Formula | C29H44O9 |
| Molecular Weight | 536.2985 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 536.2985 Da |
| Heavy Atoms | 38 |
| Complexity | 987.0 |
| SMILES | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C6(CCC5(C4CCC3(C2)O)O)COC(=O)C=C6)C)CO)O)O |
| InChIKey | VSTMPNVFJSGMIJ-UHFFFAOYSA-N |
Chemical Property Profile of Helveticosol
Property Insights of Helveticosol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Helveticosol. The TPSA of 146.0 Ų indicates high polarity, suggesting Helveticosol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Helveticosol has 5 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 Helveticosol?
The CAS number of Helveticosol is 18695-02-8.
What is the molecular formula of Helveticosol?
The molecular formula of Helveticosol is C29H44O9.
What is the molecular weight of Helveticosol?
The molecular weight of Helveticosol is 536.2985 g/mol.
Where can I buy Helveticosol?
You can request a quote for Helveticosol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Helveticosol?
Yes, CoreyChem provides custom synthesis services for Helveticosol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.