Calenduloside E
TL;DR: Calenduloside E (CAS 108322-31-2) is a chemical compound with molecular formula C36H56O9 and molecular weight 632.39246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Calenduloside E, Silphioside F, Momordin Ib, Glycoside St-E, Polysciasaponin P7
Technical Specifications
| Molecular Formula | C36H56O9 |
| Molecular Weight | 632.39246 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 632.39246 Da |
| Heavy Atoms | 45 |
| Complexity | 1260.0 |
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O |
| InChIKey | IUCHKMAZAWJNBJ-RCYXVVTDSA-N |
Chemical Property Profile of Calenduloside E
Property Insights of Calenduloside E
The XLogP value of 6.1 indicates that Calenduloside E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Calenduloside E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calenduloside E has 5 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 Calenduloside E?
The CAS number of Calenduloside E is 108322-31-2.
What is the molecular formula of Calenduloside E?
The molecular formula of Calenduloside E is C36H56O9.
What is the molecular weight of Calenduloside E?
The molecular weight of Calenduloside E is 632.39246 g/mol.
Where can I buy Calenduloside E?
You can request a quote for Calenduloside E directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calenduloside E?
Yes, CoreyChem provides custom synthesis services for Calenduloside E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.