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138916-58-2

138916-58-2 Structure

138916-58-2 Structure
IdentificationBack Directory
[Name]

(E)-N-[2-(β-D-Glucopyranosyloxy)ethyl]-3-methylthiopropenamide
[CAS]

138916-58-2
[Synonyms]

Cannabinoid A
Entadamide A glucoside
Entada A-β-D-Glucopyranoside
(2E)-N-[2-(beta-D-Glucopyranos
Entadamide A-β-D-glucopyranoside
Entadamide-A-β-D-glucopyranoside
Entadamide A-beta-D-glucopyranoside
(E)-N-[2-(β-D-Glucopyranosyloxy)ethyl]-
(E)-N-[2-(β-D-Glucopyranosyloxy)ethyl]-3-methylthiopropenamide
(2E)-N-[2-(beta-D-Glucopyranosyloxy)ethyl]-3-(methylthio)-2-propenamide
2-Propenamide, N-[2-(β-D-glucopyranosyloxy)ethyl]-3-(methylthio)-, (2E)-
[Molecular Formula]

C12H21NO7S
[MDL Number]

MFCD32899228
[MOL File]

138916-58-2.mol
[Molecular Weight]

323.36
Chemical PropertiesBack Directory
[Boiling point ]

627.7±55.0 °C(Predicted)
[density ]

1.43±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

12.90±0.70(Predicted)
[color ]

White to off-white
[InChI]

InChI=1/C12H21NO7S/c1-21-5-2-8(15)13-3-4-19-12-11(18)10(17)9(16)7(6-14)20-12/h2,5,7,9-12,14,16-18H,3-4,6H2,1H3,(H,13,15)/b5-2+/t7-,9-,10+,11-,12-/s3
[InChIKey]

FISKBHZVUFLWDZ-HTPQTQPSNA-N
[SMILES]

O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)CCNC(=O)/C=C/SC |&1:1,2,3,5,7,r|
Hazard InformationBack Directory
[Uses]

Entadamide-A-β-D-glucopyranoside is one of the major components in the seeds of Entada phaseoloides. Entadamide-A-β-D-glucopyranoside has anti-complement activitie[1].
[References]

[1] Shihua Xing, et al. Intestinal bacterial metabolism and anti-complement activities of three major components of the seeds of Entada phaseoloides. J Nat Med. 2015 Apr;69(2):171-7. DOI:10.1007/s10886-011-0012-7
Spectrum DetailBack Directory
[Spectrum Detail]

(E)-N-[2-(β-D-Glucopyranosyloxy)ethyl]-3-methylthiopropenamide(138916-58-2)1HNMR
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