MOLI000601

Molecular Formula: C30H45N3O10STc


InChI: InChI=1/C30H45N3O10S.Tc/c1-27-6-3-18-19(30(27,40)9-5-17(27)15-10-21(35)41-13-15)4-8-29(39)11-16(2-7-28(18,29)14-32-33-26(31)44)42-25-24(38)23(37)22(36)20(12-34)43-25;/h10,14,16-20,22-25,34,36-40H,2-9,11-13H2,1H3,(H3,31,33,44);/b32-14+;/t16-,17+,18-,19+,20+,22+,23-,24+,25-,27+,28-,29-,30-;/m0./s1/i;1+1/f/h33H,31H2;

InChIKey: InChIKey=GFVJVSZRDBKTCI-JYFRCMILHJ
SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C=NNC(=S)N)O.[Tc]

Names:
    MOLI000601
    [[(3S,5S,8R,9S,10R,13R,14S,17S)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methylideneamino]thiourea; technetium

Registries:
    PubChem CID 9552063
    PubChem ID 588