Beta-Hederin
TL;DR: Beta-Hederin (CAS 35790-95-5) is a chemical compound with molecular formula C41H66O11 and molecular weight 734.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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: beta-Hederin, A-hederin, a-Hederin, Eleutheroside K, alpha-Hederin
| Molecular Formula | C41H66O11 |
|---|---|
| Molecular Weight | 734.46 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 734.4605 |
| Heavy Atoms | 52 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 35790-95-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O |
| InChIKey | IBAJNOZMACNWJD-HVUPOBLPSA-N |
Product Overview
Beta-Hederin (CAS 35790-95-5), with molecular formula C41H66O11 and molecular weight 734.46 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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 Beta-Hederin
Property Insights of Beta-Hederin
The XLogP value of 4.9 indicates that Beta-Hederin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.0 Ų indicates high polarity, suggesting Beta-Hederin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Beta-Hederin has 6 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 Beta-Hederin?
The CAS number of Beta-Hederin is 35790-95-5.
What is the molecular formula of Beta-Hederin?
The molecular formula of Beta-Hederin is C41H66O11.
What is the molecular weight of Beta-Hederin?
The molecular weight of Beta-Hederin is 734.46 g/mol.
Where can I buy Beta-Hederin?
You can request a quote for Beta-Hederin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beta-Hederin?
Yes, KEHONG BIO provides custom synthesis services for Beta-Hederin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.