Description
Daphnilongeranin C is isolated from the herbs of Daphniphyllum longeracemosum.
Synonyms
Daphnilongeranin C; 750649-07-1; (1r,2s,3r,5r,6s,10s,16r,17r)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylic Acid; daphnilongeranins C; ZINC96023636
IUPAC Name
(1R,2S,3R,5R,6S,10S,16R,17R)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylic acid
Molecular Formula
C22H29NO3
Canonical SMILES
CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C2CC1C6=O)C)C(=O)O
InChI
InChI=1S/C22H29NO3/c1-11-9-23-10-13-5-3-12-4-6-14-16(20(25)26)8-22(18(12)14)19(24)15(11)7-17(23)21(13,22)2/h11,13-17H,3-10H2,1-2H3,(H,25,26)/t11-,13-,14-,15-,16-,17-,21-,22+/m1/s1
InChIKey
JOODVMXQKVRURX-ROEHNZSPSA-N