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81797-27-5

81797-27-5 Structure

81797-27-5 Structure
IdentificationBack Directory
[Name]

[5aR,(+)]-14aβ-(1,1-Dimethyl-2-propenyl)-5aβ,13aα,14,14a-tetrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7,13(5H,12H)-dione
[CAS]

81797-27-5
[Synonyms]

Aszonalenin
Aszonalenine
[5aR,(+)]-14aβ-(1,1-Dimethyl-2-propenyl)-5aβ,13aα,14,14a-tetrahydroindolo[3',2'
[5aR,(+)]-14aβ-(1,1-Dimethyl-2-propenyl)-5aβ,13aα,14,14a-tetrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7,13(5H,12H)-dione
[Molecular Formula]

C23H23N3O2
[MDL Number]

MFCD33021132
[MOL File]

81797-27-5.mol
[Molecular Weight]

373.45
Chemical PropertiesBack Directory
[Boiling point ]

605.6±55.0 °C(Predicted)
[density ]

1.30±0.1 g/cm3(Predicted)
[solubility ]

DMF: Soluble
DMSO: Soluble
Ethanol: Soluble
Methanol: Soluble
[form ]

A solid
[pka]

12.82±0.40(Predicted)
Hazard InformationBack Directory
[Uses]

Aszonalenin is a metabolite of Aspergillus zonatus[1].
[Definition]

ChEBI: (2R,3S,11R)-aszonalenin zwitterion is major microspecies at pH 7.3. It is a benzodiazepine and a zwitterion. It is functionally related to a (3R)-3-(1H-Indol-3-ylmethyl)-3H-1,4-benzodiazepine-2,5-diol.
[References]

[1] YasuoKimura, Structure of aszonalenin, a new metabolite of Aspergillus zonatus.
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