stemmadenine acetate
Chemical Formula:
C23H29N2O4
Molecular Weight:
397.493 Daltons
Monoisotopic Mass:
397.2127324297 Daltons
SMILES:
CC=C3(C[N+]4(CCC2(C1(C=CC=CC=1NC=2C(C(=O)OC)(COC(C)=O)[CH]3CC4))))
InChI:
1S/C23H28N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,19,24H,9-14H2,1-3H3/p+1/b16-4-/t19-,23-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-21548
ChEBI:
142673
PubChem (CID):
135397928