alpha-Hederin
TL;DR: alpha-Hederin (CAS 123350-57-2) 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.
10-[4,5-dihydroxy-3-(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, Dipsacobioside, .alpha.-Hederin
| 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 | 123350-57-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O |
| InChIKey | KEOITPILCOILGM-UHFFFAOYSA-N |
Product Overview
alpha-Hederin (CAS 123350-57-2), with molecular formula C41H66O12 and molecular weight 750.46 g/mol. IUPAC: 10-[4,5-dihydroxy-3-(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 123350-57-2.
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.