21-epi-vomilenine

21-<i>epi</i>-vomilenine




Chemical Formula:
C21H22N2O3
Molecular Weight:
350.416 Daltons
Monoisotopic Mass:
350.1630425829 Daltons
SMILES:
CC=C4([CH]3(C5(C(OC(=O)C)C26(C1(C(=CC=CC=1)N=C2[CH](C3)N(C(O)4)[CH]5C6)))))
InChI:
1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15+,16+,17?,19-,20+,21?/m1/s1
InChIKey:
BERYBAUEDCRDKM-XRBNASABSA-N

Databases
MetaCyc:  CPD-21572
PubChem (CID):  135397924