Premithramycin A3

Molecular Formula: C41H52O18


InChI: InChI=1/C41H52O18/c1-14-22(43)10-20-8-19-9-21-36(53-7)35(48)28(15(2)42)38(50)41(21,39(51)30(19)34(47)29(20)31(14)44)59-26-12-24(33(46)17(4)55-26)57-25-11-23(32(45)16(3)54-25)58-27-13-40(6,52)37(49)18(5)56-27/h8,10,16-18,21,23-27,32-33,36-37,43-47,49-50,52H,9,11-13H2,1-7H3/t16-,17-,18-,21+,23-,24-,25+,26+,27+,32+,33-,36+,37-,40+,41-/m1/s1

InChIKey: InChIKey=NVPFAZNHCJWHCL-JUEXJKKABT
SMILES: CC1C(C(CC(O1)OC23C(CC4=C(C2=O)C(=C5C(=C4)C=C(C(=C5O)C)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:
    C12387
    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-8-methyl-12,12a-dihydro-1H-tetracene-2,5-dione

Registries:
    PubChem CID 443799
    PubChem ID 582777