Metabolites-BOC Sciences

Acetylaszonalenin

Acetylaszonalenin - CAS 42230-55-7

Catalog number: BBF-04519

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Catalog Number BBF-04519
CAS 42230-55-7
Description Acetylaszonalenin is a fungal metabolite that has been found in A. flavipes. It acts as an antagonist of neurokinin-1 (NK1) receptor.
Molecular Formula C25H25N3O3
Molecular Weight 415.48
Synonyms 2-acetoxy-n,n,n-trimethylethanaminium iodide; (+)-Acetylaszonalenin; (5aS,13aR,14aS)-5-acetyl-14a-(1,1-dimethyl-2-propen-1-yl)-5a,13a,14,14a-tetrahydro-indolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7,13(5H,12H)-dione; LL-S490β; Antibiotic LL-S490β
IUPAC Name (2S,10S,12R)-3-acetyl-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
Canonical SMILES CC(=O)N1C2C(CC3N2C(=O)C4=CC=CC=C4NC3=O)(C5=CC=CC=C51)C(C)(C)C=C
InChI InChI=1S/C25H25N3O3/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)28(20)23(25)27(15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23-,25+/m1/s1
InChI Key TXNJQKDZOVFCAQ-XRODADMRSA-N
Boiling Point 684.5±55.0°C at 760 mmHg
Melting Point 242-244°C
Purity ≥95%
Density 1.3±0.1 g/cm3
Solubility Soluble in Methanol, Chloroform
Appearance Crystal
Storage Store at -20°C
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