MOLI000600
Molecular Formula:
C30H45N3O9STc
InChI: InChI=1/C30H45N3O9S.Tc/c1-15-22(35)23(36)24(37)25(41-15)42-17-3-8-28(14-32-33-26(31)43)19-4-7-27(2)18(16-11-21(34)40-13-16)6-10-30(27,39)20(19)5-9-29(28,38)12-17;/h11,14-15,17-20,22-25,35-39H,3-10,12-13H2,1-2H3,(H3,31,33,43);/b32-14+;/t15-,17-,18u,19-,20+,22-,23+,24+,25-,27+,28-,29-,30-;/m0./s1/i;1+1/f/h33H,31H2;
InChIKey: InChIKey=WFVRSCQCFBAFSC-SVWZZBSJHJ
SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=NNC(=S)N)O)O)O.[Tc]
Names:
MOLI000600
[[(3S,5S,8R,9S,10R,13R,14S)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-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 9552061
PubChem ID 587
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