Pratensein
TL;DR: Pratensein (CAS 2920239-57-0) is a chemical compound with molecular formula C41H66O12 and molecular weight 750.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Pratensein, Fatsiaside C, Oleanolic, Flaccidin B, Fatsiaside C1
| Molecular Formula | C41H66O12 |
|---|---|
| Molecular Weight | 750.46 g/mol |
| LogP | 3.5211 |
| Topological Polar Surface Area | 195.6 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 750.45544 |
| Heavy Atoms | 53 |
| Complexity | 1430.8922 |
Chemical Identifiers
| CAS Number | 2920239-57-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
Product Overview
Pratensein (CAS 2920239-57-0), with molecular formula C41H66O12 and molecular weight 750.46 g/mol. IUPAC: (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Pratensein
Property Insights of Pratensein
The XLogP value of 3.5211 indicates that Pratensein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.6 Ų indicates high polarity, suggesting Pratensein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pratensein has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pratensein?
The CAS number of Pratensein is 2920239-57-0.
What is the molecular formula of Pratensein?
The molecular formula of Pratensein is C41H66O12.
What is the molecular weight of Pratensein?
The molecular weight of Pratensein is 750.46 g/mol.
Where can I buy Pratensein?
You can request a quote for Pratensein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pratensein?
Yes, KEHONG BIO provides custom synthesis services for Pratensein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.