Acetonhelveticosol
TL;DR: Acetonhelveticosol (CAS 20045-26-5) is a chemical compound with molecular formula C32H48O9 and molecular weight 576.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5S,10R,13R,14S,17R)-3-[[(3aR,6R)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-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: Acetonhelveticosol, Helveticosol acetonide, Dimethylketonhelveticosol, Acetonhelveticosol [German], Dimethylketonhelveticosol [German]
| Molecular Formula | C32H48O9 |
|---|---|
| Molecular Weight | 576.33 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 576.32983 |
| Heavy Atoms | 41 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 20045-26-5 |
|---|---|
| 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)CO)OC(O2)(C)C |
| InChIKey | ODZGQIFPCJZJHC-LRFAISFCSA-N |
Product Overview
Acetonhelveticosol (CAS 20045-26-5), with molecular formula C32H48O9 and molecular weight 576.33 g/mol. IUPAC: 3-[(3S,5S,10R,13R,14S,17R)-3-[[(3aR,6R)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Acetonhelveticosol
Property Insights of Acetonhelveticosol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonhelveticosol. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonhelveticosol. Following Lipinski's Rule of Five, Acetonhelveticosol has 3 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 Acetonhelveticosol?
The CAS number of Acetonhelveticosol is 20045-26-5.
What is the molecular formula of Acetonhelveticosol?
The molecular formula of Acetonhelveticosol is C32H48O9.
What is the molecular weight of Acetonhelveticosol?
The molecular weight of Acetonhelveticosol is 576.33 g/mol.
Where can I buy Acetonhelveticosol?
You can request a quote for Acetonhelveticosol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonhelveticosol?
Yes, KEHONG BIO provides custom synthesis services for Acetonhelveticosol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.