Inumakilactone A glycoside
TL;DR: Inumakilactone A glycoside (CAS 37850-48-9) is a chemical compound with molecular formula C24H30O13 and molecular weight 526.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4S,5R,10S,11S,13R,14R,15R,18R)-14-hydroxy-10,15-dimethyl-5-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione
Also Known As: Inumakilactone A glycoside, Inumakilactone A glucoside, (1S,2R,4S,5R,10S,11S,13R,14R,15R,18R)-14-hydroxy-10,15-dimethyl-5-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione, (1S)-1-[(1aR,1bS,3aR,3bR,4R,4aR,5aS,5bS,9R,9aS)-4-Hydroxy-3a,5b-dimethyl-3,7-dioxo-1b,3a,3b,4,4a,5a,5b,7-octahydro-1aH,3H,9H-furo[2',3',4':4,5]bisoxireno[2,3:7,8]naphtho[2,1-c]pyran-9-yl]ethyl beta-D-glucopyranoside
| Molecular Formula | C24H30O13 |
|---|---|
| Molecular Weight | 526.17 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.16864 |
| Heavy Atoms | 37 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 37850-48-9 |
|---|---|
| SMILES | C[C@@H]([C@@H]1[C@]23[C@H](O2)[C@@H]4[C@H]5[C@]([C@H]([C@@H]6[C@H]([C@@]5(C3=CC(=O)O1)C)O6)O)(C(=O)O4)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | QGWDZDZECYBAPW-KPCMHIKZSA-N |
Product Overview
Inumakilactone A glycoside (CAS 37850-48-9), with molecular formula C24H30O13 and molecular weight 526.17 g/mol. IUPAC: (1S,2R,4S,5R,10S,11S,13R,14R,15R,18R)-14-hydroxy-10,15-dimethyl-5-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione.
Chemical Property Profile of Inumakilactone A glycoside
Property Insights of Inumakilactone A glycoside
The XLogP value of -2.9 indicates that Inumakilactone A glycoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting Inumakilactone A glycoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inumakilactone A glycoside has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Inumakilactone A glycoside?
The CAS number of Inumakilactone A glycoside is 37850-48-9.
What is the molecular formula of Inumakilactone A glycoside?
The molecular formula of Inumakilactone A glycoside is C24H30O13.
What is the molecular weight of Inumakilactone A glycoside?
The molecular weight of Inumakilactone A glycoside is 526.17 g/mol.
Where can I buy Inumakilactone A glycoside?
You can request a quote for Inumakilactone A glycoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inumakilactone A glycoside?
Yes, KEHONG BIO provides custom synthesis services for Inumakilactone A glycoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.