Barbinine

Molecular Formula: C38H49NO9


InChI: InChI=1/C38H49NO9/c1-7-39-17-35(18-48-33(42)22-11-9-8-10-21(22)28-20(3)19(2)14-25(28)40)13-12-27(46-5)37-24-15-23-26(45-4)16-36(43,29(24)30(23)41)38(44,34(37)39)32(47-6)31(35)37/h8-11,19,23-24,26-29,31-32,34,43-44H,3,7,12-18H2,1-2,4-6H3/t19-,23+,24+,26-,27-,28?,29+,31+,32-,34?,35-,36+,37-,38+/m0/s1

InChIKey: InChIKey=UTSVAIQWMPBLEJ-IDTGLJMPBP
SMILES: CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6=O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7C8C(=C)C(CC8=O)C

Names:
    Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1,6,16-trimethoxy-, (1-alpha,4(S),6-beta,16-beta)-
    Barbinine
    CHEBI:2992
    (20-ethyl-7,8-dihydroxy-1alpha,6beta,16beta-trimethoxy-14-oxoaconitan-4-yl)methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
    123497-99-4

Registries:
    PubChem CID 9548629
    PubChem ID 8145879