Cimicifugoside H-4
TL;DR: Cimicifugoside H-4 (CAS 161097-79-6) is a chemical compound with molecular formula C32H48O9 and molecular weight 576.32983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2S,4R,5R,6R,9R,10R,12R,16R,18S,21R)-2,9,10-trihydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-one
Also Known As: Neocimiside, Cimicifugoside H-4, Cimicifugoside H 4, Cimicifugoside H-4, (-)-, foetidinol-3-O-xyloside
Technical Specifications
| Molecular Formula | C32H48O9 |
| Molecular Weight | 576.32983 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 576.32983 Da |
| Heavy Atoms | 41 |
| Complexity | 1190.0 |
| SMILES | C[C@@H]1CC(=O)[C@@H]([C@@]2([C@H]1[C@]3(C[C@@H]([C@@]45C[C@@]46CC[C@@H](C([C@@H]6CC=C5[C@@]3(C2)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)O)O |
| InChIKey | XAOFACFLIBLCBM-UKBVKWQQSA-N |
Chemical Property Profile of Cimicifugoside H-4
Property Insights of Cimicifugoside H-4
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cimicifugoside H-4. The TPSA of 157.0 Ų indicates high polarity, suggesting Cimicifugoside H-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cimicifugoside H-4 has 6 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 Cimicifugoside H-4?
The CAS number of Cimicifugoside H-4 is 161097-79-6.
What is the molecular formula of Cimicifugoside H-4?
The molecular formula of Cimicifugoside H-4 is C32H48O9.
What is the molecular weight of Cimicifugoside H-4?
The molecular weight of Cimicifugoside H-4 is 576.32983 g/mol.
Where can I buy Cimicifugoside H-4?
You can request a quote for Cimicifugoside H-4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cimicifugoside H-4?
Yes, CoreyChem provides custom synthesis services for Cimicifugoside H-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.