Hellebrin
TL;DR: Hellebrin (CAS 13289-18-4) is a chemical compound with molecular formula C36H52O15 and molecular weight 724.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Hellebrin, Hellebrigenin glucorhamnoside, Hellebrigenin-gluco-rhamnosid, EINECS 236-303-1, Hellebrigenin-gluco-rhamnosid [German]
| Molecular Formula | C36H52O15 |
|---|---|
| Molecular Weight | 724.33 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 724.3306 |
| Heavy Atoms | 51 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 13289-18-4 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O |
| InChIKey | DCSLTSSPIJWEJN-UHFFFAOYSA-N |
Product Overview
Hellebrin (CAS 13289-18-4), with molecular formula C36H52O15 and molecular weight 724.33 g/mol. IUPAC: 3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Hellebrin
Property Insights of Hellebrin
The XLogP value of -1.7 indicates that Hellebrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting Hellebrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hellebrin has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hellebrin?
The CAS number of Hellebrin is 13289-18-4.
What is the molecular formula of Hellebrin?
The molecular formula of Hellebrin is C36H52O15.
What is the molecular weight of Hellebrin?
The molecular weight of Hellebrin is 724.33 g/mol.
Where can I buy Hellebrin?
You can request a quote for Hellebrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hellebrin?
Yes, KEHONG BIO provides custom synthesis services for Hellebrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.