acetylaszonalenin

Chemical Formula:

C₂₅H₂₅N₃O₃

Molecular Weight:

415.491 Daltons

Monoisotopic Mass:

415.1895916844 Daltons

SMILES:

C=CC(C24(C(N1(C(=O)C3(C(NC(=O)[CH]1C2)=CC=CC=3)))N(C(=O)C)C5(C4=CC=CC=5)))(C)C

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

InChIKey:

TXNJQKDZOVFCAQ-PCXNKIBISA-N

Synonyms

acyl aszonalenin
LL-S490β

Databases

MetaCyc: CPD-16900

PubChem (CID): 90657171

MetaNetX: MNXM148856