MOLI000848

Molecular Formula: C₂₄H₃₅N₃O₅STc

InChI: InChI=1/C24H35N3O5S.Tc/c1-21-6-3-17-18(24(21,31)9-5-16(21)14-10-19(29)32-12-14)4-8-23(30)11-15(28)2-7-22(17,23)13-26-27-20(25)33;/h10,13,15-18,28,30-31H,2-9,11-12H2,1H3,(H3,25,27,33);/t15-,16+,17-,18+,21+,22-,23-,24-;/m0./s1/i;1+1/f/h27H,25H2;

InChIKey: InChIKey=JADVSOCJUDSBML-KEHGXVCKHQ
SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=NNC(=S)N)O.[Tc]

Names:
    MOLI000848
    technetium; [[(3S,5S,8R,9S,10R,13R,14S,17S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methylideneamino]thiourea

Registries:
    PubChem CID 5462080
    PubChem ID 832