Helicterilic acid
TL;DR: Helicterilic acid (CAS 102637-05-8) is a chemical compound with molecular formula C39H54O6 and molecular weight 618.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Helicterilic acid
(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
| Molecular Formula | C39H54O6 |
|---|---|
| Molecular Weight | 618.39 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 618.392 |
| Heavy Atoms | 45 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 102637-05-8 |
|---|---|
| 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 |
Product Overview
Helicterilic acid (CAS 102637-05-8), with molecular formula C39H54O6 and molecular weight 618.39 g/mol. IUPAC: (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.
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
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 618.39 g/mol.
Where can I buy Helicterilic acid?
You can request a quote for Helicterilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Helicterilic acid?
Yes, KEHONG BIO provides custom synthesis services for Helicterilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.