Description
IUPAC Name: 5,6-dihydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
InChI: InChI=1S/C16H23NO7/c1-9-13(18)24-11-5-7-17(22)6-4-10(12(11)17)8-23-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3
InChIKey: LHVAZUAALQTANZ-UHFFFAOYSA-N
Canonical SMILES: CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-]
Isomeric SMILES: CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-]
Synonyms: Monocrotaline N-oxide; 35337-98-5; NSC108378; (13R,14R)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione 4-oxide; Monocrotaline, N-oxide; Monocrotaline-N-oxide; CHEMBL1992623; AKOS040744292; …
Botanical Source: Crotalaria pallida Ait.