Description
IUPAC Name: methyl (E)-2-[(3R,6’S,7’S,8’aS)-6′-ethyl-2-oxospiro[1H-indole-3,1′-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7′-yl]-3-methoxyprop-2-enoate
InChI: InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15+,19+,22-/m1/s1
InChIKey: DAXYUDFNWXHGBE-XYEDMTIPSA-N
Canonical SMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
Isomeric SMILES: CC[C@@H]1CN2CC[C@]3([C@@H]2C[C@@H]1/C(=COC)/C(=O)OC)C4=CC=CC=C4NC3=O
Synonyms: Corynoxine B; 17391-18-3; CHEBI:70070; methyl (E)-2-[(3R,6’S,7’S,8’aS)-6′-ethyl-2-oxospiro[1H-indole-3,1′-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7′-yl]-3-methoxyprop-2-enoate; CHEMBL1909423; SCHEMBL17531564; HY-N0901A; BDBM50566313; …
Botanical Source: Uncariae Ramulus cum Uncis