Laboutein
TL;DR: Laboutein (CAS 90042-98-1) is a chemical compound with molecular formula C26H36O12 and molecular weight 540.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3S,4R,7S,8E,10Z,12S,13R,14S,16R,17S)-2,12-diacetyloxy-3,16,17-trihydroxy-9-(hydroxymethyl)-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,10-dien-14-yl] acetate
Also Known As: Laboutein, (-)-Laboutein, (1R,3aS,4E,6Z,8S,8aR,9S,11R,12S,12aS,13S,13aS)-11,12,13a-trihydroxy-5-(hydroxymethyl)-1,8a,12-trimethyl-2-oxo-1,2,3a,8,8a,9,10,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9,13-triyl triacetate, [(1S,2S,3S,4R,7S,8E,10Z,12S,13R,14S,16R,17S)-2,12-diacetyloxy-3,16,17-trihydroxy-9-(hydroxymethyl)-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,10-dien-14-yl] acetate, Benzo(4,5)cyclodeca(1,2-b)furan-2(1H)-one, 8,9,13-tris(acetyloxy)-3a,8,8a,9,10,11,12,12a,13,13a-decahydro-11,12,13a-trihydroxy-5-(hydroxymethyl)-1,8a,12-trimethyl-, (1R,3aS,4E,6Z,8S,8aR,9S,11R,12S,12aS,13S,13aS)-
| Molecular Formula | C26H36O12 |
|---|---|
| Molecular Weight | 540.22 g/mol |
| LogP | -0.2993 |
| Topological Polar Surface Area | 186.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 540.2207 |
| Heavy Atoms | 38 |
| Complexity | 1046.8287 |
Chemical Identifiers
| CAS Number | 90042-98-1 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@@H]\2[C@@]1([C@H]([C@H]3[C@]([C@@H](C[C@@H]([C@@]3([C@H](/C=C\C(=C2)\CO)OC(=O)C)C)OC(=O)C)O)(C)O)OC(=O)C)O |
Product Overview
Laboutein (CAS 90042-98-1), with molecular formula C26H36O12 and molecular weight 540.22 g/mol. IUPAC: [(1S,2S,3S,4R,7S,8E,10Z,12S,13R,14S,16R,17S)-2,12-diacetyloxy-3,16,17-trihydroxy-9-(hydroxymethyl)-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,10-dien-14-yl] acetate.
Chemical Property Profile of Laboutein
Property Insights of Laboutein
The XLogP value of -0.2993 indicates that Laboutein is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.12 Ų indicates high polarity, suggesting Laboutein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Laboutein has 4 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 Laboutein?
The CAS number of Laboutein is 90042-98-1.
What is the molecular formula of Laboutein?
The molecular formula of Laboutein is C26H36O12.
What is the molecular weight of Laboutein?
The molecular weight of Laboutein is 540.22 g/mol.
Where can I buy Laboutein?
You can request a quote for Laboutein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Laboutein?
Yes, KEHONG BIO provides custom synthesis services for Laboutein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.