126054-77-1

Basic information

• Product Name: (1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one
• Synonyms: (1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one;[(1β,5α)-4β-Methyl-4α,10,14-trihydroxy-3-oxo-5-demethylambrosan-11-yl]β-D-glucopyranoside;Atractyloside A;(1S,3aS,4R,7R,8aR)-7-[1-(beta-D-Glucopyranosyloxy)-1-methylethyl]octahydro-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-2(1H)-azulenone;2-[(3S,3aR,5R,8R,8aS)-3,8-Dihydroxy-8-(hydroxymethyl)-3-methyl-2- oxodecahydro-5-azulenyl]-2-propanyl β-D-glucopyranoside
• CAS NO: 126054-77-1
• Molecular Formula: C21H36O10
• Molecular Weight: 448.50454
• Mol File: 126054-77-1.mol

Chemical Properties

• Boiling Point: 684.778 °C at 760 mmHg
• Flash Point: 234.092 °C
• Appearance: /
• Density: 1.42
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.6
• Storage Temp.: 2-8°C
• Solubility: DMSO (Slightly), Methanol (Very Slightly, Heated), Pyridine (Slightly, Heated)
• PKA: 12.80±0.60(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: (1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: (1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one(126054-77-1)
• EPA Substance Registry System: (1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one(126054-77-1)

Safety Data

• Hazardous Substances Data: 126054-77-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one is used as a pharmaceutical agent for its potential inhibitory effects on mitochondrial ADP transportation, leading to necrosis. This property makes it a promising candidate for the development of drugs targeting cancer cells and other diseases.
Used in Antimicrobial Applications:
In the field of antimicrobial research, (1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one is utilized for its antimicrobial properties. Its ability to inhibit the growth of certain microorganisms makes it a valuable compound for the development of new antibiotics and antifungal agents.

InChI:InChI=1/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10-,11-,12+,13-,15-,16+,17-,18+,20+,21+/m1/s1