Helicterilic acid
TL;DR: Helicterilic acid (CAS 102637-05-8) is a chemical compound with molecular formula C39H54O6 and molecular weight 618.392 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-acetyloxy-6a-(benzoyloxymethyl)-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: Helicterilic acid, J2.412.037F, (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-6a-(benzoyloxymethyl)-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, 3-(Acetyloxy)-27-(benzoyloxy)olean-12-en-28-oic acid, 3beta-(Acetyloxy)-27-(benzoyloxy)olean-12-en-28-oic acid
Technical Specifications
| Molecular Formula | C39H54O6 |
| Molecular Weight | 618.392 g/mol |
| XLogP | 8.9 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 618.392 Da |
| Heavy Atoms | 45 |
| Complexity | 1240.0 |
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)COC(=O)C6=CC=CC=C6)C)C |
| InChIKey | SWHPMVMCXJNDBZ-JZYPULJSSA-N |
Chemical Property Profile of Helicterilic acid
Property Insights of Helicterilic acid
The XLogP value of 8.9 indicates that Helicterilic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Helicterilic acid. Following Lipinski's Rule of Five, Helicterilic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Helicterilic acid?
The CAS number of Helicterilic acid is 102637-05-8.
What is the molecular formula of Helicterilic acid?
The molecular formula of Helicterilic acid is C39H54O6.
What is the molecular weight of Helicterilic acid?
The molecular weight of Helicterilic acid is 618.392 g/mol.
Where can I buy Helicterilic acid?
You can request a quote for Helicterilic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Helicterilic acid?
Yes, CoreyChem provides custom synthesis services for Helicterilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.