Alpha-Hederin
TL;DR: Alpha-Hederin (CAS 27013-91-8) 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,8aR,9R,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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: alpha-Hederin, Helixin, Sapindoside A, Hederoside C, Tauroside E
| Molecular Formula | C41H66O12 |
|---|---|
| Molecular Weight | 750.46 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 750.45544 |
| Heavy Atoms | 53 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 27013-91-8 |
|---|---|
| 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]([C@]3(C)CO)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 | KEOITPILCOILGM-LLJOFIFVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-Hederin (CAS 27013-91-8), with molecular formula C41H66O12 and molecular weight 750.46 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,9R,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-9-(hydroxymethyl)-2,2,6a,6b,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 Alpha-Hederin
Property Insights of Alpha-Hederin
The XLogP value of 3.6 indicates that Alpha-Hederin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting Alpha-Hederin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alpha-Hederin has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alpha-Hederin?
The CAS number of Alpha-Hederin is 27013-91-8.
What is the molecular formula of Alpha-Hederin?
The molecular formula of Alpha-Hederin is C41H66O12.
What is the molecular weight of Alpha-Hederin?
The molecular weight of Alpha-Hederin is 750.46 g/mol.
Where can I buy Alpha-Hederin?
You can request a quote for Alpha-Hederin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-Hederin?
Yes, KEHONG BIO provides custom synthesis services for Alpha-Hederin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.