Mascaroside
TL;DR: Mascaroside (CAS 55465-97-9) is a chemical compound with molecular formula C26H36O11 and molecular weight 524.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,12R,13S,14S,16S,17R,18R)-14,17,18-trihydroxy-12-methyl-17-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one
Also Known As: Mascaroside, (1R,4S,12R,13S,14S,16S,17R,18R)-14,17,18-trihydroxy-12-methyl-17-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one, (1R,4S,12R,13S,14S,16S,17R,18R)-14,17,18-trihydroxy-12-methyl-17-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one, (3bS,5aR,6R,7R,8S,10S,10aS,10bR)-7-((beta-D-Glucopyranosyloxy)methyl)-4,5,6,7,8,9,10,10a,10b,11-decahydro-6,7,10-trihydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta(5,6)naphtho(2,1-b)furan-12(3bH)-one, (3bS,7R)-7-[(beta-D-Glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10aalpha,10b,11-decahydro-6beta,7,10alpha-trihydroxy-10bbeta-methyl-5abeta,8beta-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one
| Molecular Formula | C26H36O11 |
|---|---|
| Molecular Weight | 524.23 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 524.22577 |
| Heavy Atoms | 37 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 55465-97-9 |
|---|---|
| SMILES | C[C@@]12CC(=O)C3=C([C@H]1CC[C@]45[C@H]2[C@H](C[C@H](C4)[C@]([C@@H]5O)(CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C=CO3 |
| InChIKey | SJBDVPKAXKLGPV-UKNYEQEFSA-N |
Product Overview
Mascaroside (CAS 55465-97-9), with molecular formula C26H36O11 and molecular weight 524.23 g/mol. IUPAC: (1R,4S,12R,13S,14S,16S,17R,18R)-14,17,18-trihydroxy-12-methyl-17-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one.
Chemical Property Profile of Mascaroside
Property Insights of Mascaroside
The XLogP value of -1.2 indicates that Mascaroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Mascaroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mascaroside has 7 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 Mascaroside?
The CAS number of Mascaroside is 55465-97-9.
What is the molecular formula of Mascaroside?
The molecular formula of Mascaroside is C26H36O11.
What is the molecular weight of Mascaroside?
The molecular weight of Mascaroside is 524.23 g/mol.
Where can I buy Mascaroside?
You can request a quote for Mascaroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mascaroside?
Yes, KEHONG BIO provides custom synthesis services for Mascaroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.