Premithramycin A3'
Molecular Formula:
C40H50O18
InChI: InChI=1/C40H50O18/c1-14(41)28-34(47)35(52-6)21-9-19-7-18-8-20(42)10-22(43)29(18)33(46)30(19)38(50)40(21,37(28)49)58-26-12-24(32(45)16(3)54-26)56-25-11-23(31(44)15(2)53-25)57-27-13-39(5,51)36(48)17(4)55-27/h7-8,10,15-17,21,23-27,31-32,35-36,42-46,48-49,51H,9,11-13H2,1-6H3/t15-,16-,17-,21+,23-,24-,25+,26+,27+,31+,32-,35+,36-,39+,40-/m1/s1
InChIKey: InChIKey=AASZIVFAOBUOTM-QGYAIUEGBX
SMILES: CC1C(C(CC(O1)OC23C(CC4=C(C2=O)C(=C5C(=C4)C=C(C=C5O)O)O)C(C(=O)C(=C3O)C(=O)C)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)(C)O)O
Names:
C12386
Premithramycin A3'
(1S,4aR,12aS)-3-acetyl-4a-[(2S,4R,5S,6R)-4-[(2S,4R,5S,6R)-4-[(2R,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-4,6,7,9-tetrahydroxy-1-methoxy-12,12a-dihydro-1H-tetracene-2,5-dione
Registries:
PubChem CID 443798
PubChem ID 582776
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