Asprellic acid A
TL;DR: Asprellic acid A (CAS 152509-92-7) is a chemical compound with molecular formula C48H60O8 and molecular weight 764.42883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Asprellic acid A, Asprellic acid B, Asprellic acid C, 3,27-Di-O-p-coumaroyloxyolean-12-en-28-oic acid, 3,27-di-O-trans-p-coumaroyl-3beta,27-dihydroxy-olean-12-en-28-oic acid
Technical Specifications
| Molecular Formula | C48H60O8 |
| Molecular Weight | 764.42883 g/mol |
| XLogP | 10.7 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 764.42883 Da |
| Heavy Atoms | 56 |
| Complexity | 1590.0 |
| 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)COC(=O)/C=C/C6=CC=C(C=C6)O)C)(C)C)OC(=O)/C=C/C7=CC=C(C=C7)O |
| InChIKey | YBOIBOWMTWFCEG-MVYRAAOISA-N |
Chemical Property Profile of Asprellic acid A
Property Insights of Asprellic acid A
The XLogP value of 10.7 indicates that Asprellic acid A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Asprellic acid A. Following Lipinski's Rule of Five, Asprellic acid A has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Asprellic acid A?
The CAS number of Asprellic acid A is 152509-92-7.
What is the molecular formula of Asprellic acid A?
The molecular formula of Asprellic acid A is C48H60O8.
What is the molecular weight of Asprellic acid A?
The molecular weight of Asprellic acid A is 764.42883 g/mol.
Where can I buy Asprellic acid A?
You can request a quote for Asprellic acid A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Asprellic acid A?
Yes, CoreyChem provides custom synthesis services for Asprellic acid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.