Kalopanaxsaponin H
TL;DR: Kalopanaxsaponin H (CAS 129579-58-4) is a chemical compound with molecular formula C47H76O17 and molecular weight 912.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-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-carboxylic acid
Also Known As: Kalopanaxsaponin H, Macranthoside A, Kalopanaxsaponin-H, Kalopanax saponin H, KST-1A1006
| Molecular Formula | C47H76O17 |
|---|---|
| Molecular Weight | 912.51 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 912.50824 |
| Heavy Atoms | 64 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 129579-58-4 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O |
| InChIKey | AMXYFWUYMQOLRN-VSLJUTLUSA-N |
Product Overview
Kalopanaxsaponin H (CAS 129579-58-4), with molecular formula C47H76O17 and molecular weight 912.51 g/mol. IUPAC: (4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-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-carboxylic acid.
Chemical Property Profile of Kalopanaxsaponin H
Property Insights of Kalopanaxsaponin H
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kalopanaxsaponin H. The TPSA of 275.0 Ų indicates high polarity, suggesting Kalopanaxsaponin H may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kalopanaxsaponin H has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kalopanaxsaponin H?
The CAS number of Kalopanaxsaponin H is 129579-58-4.
What is the molecular formula of Kalopanaxsaponin H?
The molecular formula of Kalopanaxsaponin H is C47H76O17.
What is the molecular weight of Kalopanaxsaponin H?
The molecular weight of Kalopanaxsaponin H is 912.51 g/mol.
Where can I buy Kalopanaxsaponin H?
You can request a quote for Kalopanaxsaponin H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kalopanaxsaponin H?
Yes, KEHONG BIO provides custom synthesis services for Kalopanaxsaponin H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.