TL;DR: Reduced lantadene A (CAS 13224-63-0) is a chemical compound with molecular formula C35H54O5 and molecular weight 554.3971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Reduced lantadene A, Lantadene A (reduced), 22beta-Angeloyloxyoleanolic acid, 22 Beta-angeloyloxy-oleanolic Acid, (4R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
| Molecular Formula | C35H54O5 |
| Molecular Weight | 554.3971 g/mol |
| XLogP | 8.1 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 554.3971 Da |
| Heavy Atoms | 40 |
| Complexity | 1150.0 |
| SMILES | C/C=C(\C)/C(=O)O[C@@H]1CC(C[C@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C(=O)O)(C)C |
| InChIKey | BJFLQQFMBZHWKK-LQJUYVCFSA-N |
The XLogP value of 8.1 indicates that Reduced lantadene A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Reduced lantadene A. Following Lipinski's Rule of Five, Reduced lantadene A has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Reduced lantadene A is 13224-63-0.
The molecular formula of Reduced lantadene A is C35H54O5.
The molecular weight of Reduced lantadene A is 554.3971 g/mol.
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