Acetophenonehelveticoside
TL;DR: Acetophenonehelveticoside (CAS 28719-24-6) is a chemical compound with molecular formula C37H48O9 and molecular weight 636.32983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-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: Acetophenonehelveticoside, Acetophenonhelveticosid, Acetophenonhelveticosid [German], 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(alpha-methylbenzylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-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
Technical Specifications
| Molecular Formula | C37H48O9 |
| Molecular Weight | 636.32983 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 636.32983 Da |
| Heavy Atoms | 46 |
| Complexity | 1260.0 |
| SMILES | CC1[C@@H]2C(C[C@@H](O1)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC(O2)(C)C8=CC=CC=C8 |
| InChIKey | PVAIXHBTRMCOBL-OMFYFAIKSA-N |
Chemical Property Profile of Acetophenonehelveticoside
Property Insights of Acetophenonehelveticoside
The XLogP value of 3.0 indicates that Acetophenonehelveticoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenonehelveticoside. Following Lipinski's Rule of Five, Acetophenonehelveticoside has 2 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 Acetophenonehelveticoside?
The CAS number of Acetophenonehelveticoside is 28719-24-6.
What is the molecular formula of Acetophenonehelveticoside?
The molecular formula of Acetophenonehelveticoside is C37H48O9.
What is the molecular weight of Acetophenonehelveticoside?
The molecular weight of Acetophenonehelveticoside is 636.32983 g/mol.
Where can I buy Acetophenonehelveticoside?
You can request a quote for Acetophenonehelveticoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetophenonehelveticoside?
Yes, CoreyChem provides custom synthesis services for Acetophenonehelveticoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.