Pokeberrygenin
TL;DR: Pokeberrygenin (CAS 75206-90-5) is a chemical compound with molecular formula C31H48O6 and molecular weight 516.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4aR,6aR,6aS,6bR,10R,11S,12aR,14bR)-10,11-dihydroxy-2-methoxycarbonyl-2,6a,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: Pokeberrygenin, 2,3-Dihydroxy-29-methoxy-29-oxoolean-12-en-28-oic acid, Olean-12-ene-28,29-dioic acid, 2,3-dihydroxy-, 29-methyl ester, (2beta,3beta,20beta)-, (2R,4aR,6aR,6aS,6bR,10R,11S,12aR,14bR)-10,11-dihydroxy-2-methoxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (5xi)-2beta,3beta-Dihydroxy-29-methoxy-29-oxo-18alpha-olean-12-en-28-oic acid
| Molecular Formula | C31H48O6 |
|---|---|
| Molecular Weight | 516.35 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.3451 |
| Heavy Atoms | 37 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 75206-90-5 |
|---|---|
| SMILES | C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H](C5(C)C)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)OC |
| InChIKey | XINANDRKNJRDBH-KSJJSBHMSA-N |
Product Overview
Pokeberrygenin (CAS 75206-90-5), with molecular formula C31H48O6 and molecular weight 516.35 g/mol. IUPAC: (2R,4aR,6aR,6aS,6bR,10R,11S,12aR,14bR)-10,11-dihydroxy-2-methoxycarbonyl-2,6a,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 Pokeberrygenin
Property Insights of Pokeberrygenin
The XLogP value of 5.2 indicates that Pokeberrygenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pokeberrygenin. Following Lipinski's Rule of Five, Pokeberrygenin has 3 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 Pokeberrygenin?
The CAS number of Pokeberrygenin is 75206-90-5.
What is the molecular formula of Pokeberrygenin?
The molecular formula of Pokeberrygenin is C31H48O6.
What is the molecular weight of Pokeberrygenin?
The molecular weight of Pokeberrygenin is 516.35 g/mol.
Where can I buy Pokeberrygenin?
You can request a quote for Pokeberrygenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pokeberrygenin?
Yes, KEHONG BIO provides custom synthesis services for Pokeberrygenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.