PFAS

全球PFAS筛查数据库

GCIS

16-Hydroxyroquefortine C

CAS号: 882572-00-1

IUPAC名称: (1S,4E,7R,9R)-7-hydroxy-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

分子式: C22H23N5O3

分子量: 405.4

InChI: InChI=1S/C22H23N5O3/c1-4-20(2,3)21-11-22(30)19(29)26-16(9-13-10-23-12-24-13)17(28)27(22)18(21)25-15-8-6-5-7-14(15)21/h4-10,12,18,25,30H,1,11H2,2-3H3,(H,23,24)(H,26,29)/b16-9+/t18-,21+,22+/m0/s1

InChIKey: KZSZQDUCTFQAES-ZVGNNNCYSA-N

SMILES: CC(C)(C=C)[C@@]12C[C@]3(C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25)O

EINECS: -