Kalopanax saponin C
TL;DR: Kalopanax saponin C (CAS 121449-76-1) is a chemical compound with molecular formula C65H106O31 and molecular weight 1382.6718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Kalopanax saponin C, 6-deoxyhexopyranosyl-(1-, [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, 3-O-(alpha-Rhamnopyranosyl-(1-2)-alpha-arabinopyranosyl)hedragenin-28-(alpha-rhamnopyranosyl-(1-2)-beta-glucopyranosyl-(1-6)-beta-glucopyranosyl)ester, (6-((3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxymethyl)-3,4,5-trihydroxyoxan-2-yl) 10-(3-(3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl)oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Technical Specifications
| Molecular Formula | C65H106O31 |
| Molecular Weight | 1382.6718 g/mol |
| XLogP | -3.5 |
| Topological Polar Surface Area (TPSA) | 492.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 17 |
| Exact Mass | 1382.6718 Da |
| Heavy Atoms | 96 |
| Complexity | 2700.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)(C)C)O)O)O)CO)O)O)O |
| InChIKey | SDOYPCMINZZTMA-UHFFFAOYSA-N |
Chemical Property Profile of Kalopanax saponin C
Property Insights of Kalopanax saponin C
The XLogP value of -3.5 indicates that Kalopanax saponin C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 492.0 Ų indicates high polarity, suggesting Kalopanax saponin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kalopanax saponin C has 18 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Kalopanax saponin C?
The CAS number of Kalopanax saponin C is 121449-76-1.
What is the molecular formula of Kalopanax saponin C?
The molecular formula of Kalopanax saponin C is C65H106O31.
What is the molecular weight of Kalopanax saponin C?
The molecular weight of Kalopanax saponin C is 1382.6718 g/mol.
Where can I buy Kalopanax saponin C?
You can request a quote for Kalopanax saponin C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Kalopanax saponin C?
Yes, CoreyChem provides custom synthesis services for Kalopanax saponin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.