ambiguine I
Chemical Formula:
C26H30N2O2
Molecular Weight:
402.535 Daltons
Monoisotopic Mass:
403.2385532497 Daltons
SMILES:
C=CC6(C)(CC[CH]3(C1(O)(C(C5(OC(C(C)(C)C2(=C1C4(C(N2)=CC=CC(C3(C)C)=4)))5))([N+]#[C-])6)))
InChI:
1S/C26H30N2O2/c1-8-24(6)13-12-16-22(2,3)14-10-9-11-15-17(14)18-19(28-15)23(4,5)20-21(30-20)26(24,27-7)25(16,18)29/h8-11,16,20-21,28-29H,1,12-13H2,2-6H3/t16-,20?,21?,24+,25-,26+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-20776
ChemSpider:
17214461
ChEBI:
65401
PubChem (CID):
134820147