Gymnemic acid I
TL;DR: Gymnemic acid I (CAS 122168-40-5) is a chemical compound with molecular formula C43H66O14 and molecular weight 806.44525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[[8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-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: Gymnemic acid I, (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-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, 6-[[8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-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
Technical Specifications
| Molecular Formula | C43H66O14 |
| Molecular Weight | 806.44525 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 230.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 806.44525 Da |
| Heavy Atoms | 57 |
| Complexity | 1660.0 |
| SMILES | CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)COC(=O)C)O |
| InChIKey | VEFSVJGWJQPWFS-UHFFFAOYSA-N |
Chemical Property Profile of Gymnemic acid I
Property Insights of Gymnemic acid I
The XLogP value of 3.9 indicates that Gymnemic acid I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting Gymnemic acid I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gymnemic acid I has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Gymnemic acid I?
The CAS number of Gymnemic acid I is 122168-40-5.
What is the molecular formula of Gymnemic acid I?
The molecular formula of Gymnemic acid I is C43H66O14.
What is the molecular weight of Gymnemic acid I?
The molecular weight of Gymnemic acid I is 806.44525 g/mol.
Where can I buy Gymnemic acid I?
You can request a quote for Gymnemic acid I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gymnemic acid I?
Yes, CoreyChem provides custom synthesis services for Gymnemic acid I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.