CASSAINE

Molecular Formula: C₂₄H₄₁NO₈S

InChI: InChI=1/C24H39NO4.H2O4S/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4;1-5(2,3)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3;(H2,1,2,3,4)/b16-13+;/f/h;1-2H

InChIKey: InChIKey=IVYNQROYSGOIQF-ZMEVQDPADG
SMILES: CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)O)C.OS(=O)(=O)O

Names:
    CASSAINE
    Cassaine, sulfate
    CASSAINE
    NSC72302
    2-dimethylaminoethyl (2E)-2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate; sulfuric acid
    32645-52-6

Registries:
    PubChem CID 5357172
    PubChem ID 115051