Ansatrienin A

Molecular Formula: C36H48N2O8


InChI: InChI=1/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11+,23-14-/t24-,25+,29-,31-,33-/m0/s1/f/h37-38H

InChIKey: InChIKey=WWUVMHRJRCRFSL-ZKTZRYHVDY
SMILES: CC1C(CC=CC=CC=CC(CC(=O)NC2=CC(=O)C=C(C2=O)CCC=C(C1O)C)OC)OC(=O)C(C)NC(=O)C3CCCCC3

Names:
    Ansatrienin A
    C12098
    80111-47-3
    [(4Z,6R,7R,8S,10E,12E,14E,16R)-6-hydroxy-16-methoxy-5,7-dimethyl-18,22,24-trioxo-19-azabicyclo[18.3.1]tetracosa-4,10,12,14,20,23-hexaen-8-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate

Registries:
    PubChem CID 5282069
    PubChem ID 14245