TL;DR: Macrocarpal A (CAS 132951-90-7) is a chemical compound with molecular formula C28H40O6 and molecular weight 472.2825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(1R)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Also Known As: Macrocarpal A, MacrocarpalA, Macrocarpal B, 10-epi-Eucarobustol F, HY-N3346
| Molecular Formula | C28H40O6 |
| Molecular Weight | 472.2825 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.2825 Da |
| Heavy Atoms | 34 |
| Complexity | 774.0 |
| SMILES | CC(C)C[C@@H](C1=C(C(=C(C(=C1O)C=O)O)C=O)O)[C@]2(CC[C@@H]3[C@@H]2[C@H]4[C@H](C4(C)C)CC[C@@]3(C)O)C |
| InChIKey | IBLPTYJTKWQCDX-MOTAWSDJSA-N |
The XLogP value of 6.2 indicates that Macrocarpal A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Macrocarpal A. Following Lipinski's Rule of Five, Macrocarpal A has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Macrocarpal A is 132951-90-7.
The molecular formula of Macrocarpal A is C28H40O6.
The molecular weight of Macrocarpal A is 472.2825 g/mol.
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