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126054-77-1

126054-77-1 Structure

126054-77-1 Structure
IdentificationBack Directory
[Name]

(1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one
[CAS]

126054-77-1
[Synonyms]

Atractyloside A
Atractyloside A, >98%
Atractyloside A 126054-77-1
(1S,4S,5R,7R,10R)-4,10,11,14-tetrahydroxyguai-3-one 11-O-β-D-glucopyranoside
[(1β,5α)-4β-Methyl-4α,10,14-trihydroxy-3-oxo-5-demethylambrosan-11-yl]β-D-glucopyranoside
2-[(3S,3aR,5R,8R,8aS)-3,8-Dihydroxy-8-(hydroxymethyl)-3-methyl-2- oxodecahydro-5-azulenyl]-2-propanyl β-D-glucopyranoside
(1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one
(1S,3aS,4R,7R,8aR)-7-[1-(beta-D-Glucopyranosyloxy)-1-methylethyl]octahydro-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-2(1H)-azulenone
2(1H)-Azulenone, 7-[1-(β-D-glucopyranosyloxy)-1-methylethyl]octahydro-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-, (1S,3aS,4R,7R,8aR)-
[Molecular Formula]

C21H36O10
[MDL Number]

MFCD16621069
[MOL File]

126054-77-1.mol
[Molecular Weight]

448.5
Chemical PropertiesBack Directory
[Melting point ]

224-226°C
[Boiling point ]

684.8±55.0 °C(Predicted)
[density ]

1.42
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Very Slightly, Heated), Pyridine (Slightly, Heated)
[form ]

Solid
[pka]

12.80±0.60(Predicted)
[color ]

White to Pale Yellow
[Stability:]

Hygroscopic
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from Xanthium sibiricum, Atractylodes lancea, and Atractylodes macrocephala.
[Uses]

Atractyloside A is known to inhibit mitochondrial ADP transportation resulting in necrosis. Antimicrobial.
[Definition]

ChEBI: Atractyloside A is a terpene glycoside.
Spectrum DetailBack Directory
[Spectrum Detail]

(1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one(126054-77-1)1HNMR
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