ambiguine C
Chemical Formula:
C26H32N2O
Molecular Weight:
388.552 Daltons
Monoisotopic Mass:
389.2592886918 Daltons
SMILES:
C=CC(C)(C)C3(NC1(=CC=CC2(C([CH]4(C(O)(C(C1=2)=3)C([N+]#[C-])C(C)(C=C)CC4))(C)C)))
InChI:
1S/C26H32N2O/c1-9-23(3,4)21-20-19-16(12-11-13-17(19)28-21)24(5,6)18-14-15-25(7,10-2)22(27-8)26(18,20)29/h9-13,18,22,28-29H,1-2,14-15H2,3-7H3/t18-,22+,25+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-20779
PubChem (CID):
21610114