Premithramycin B
Molecular Formula:
C53H72O24
InChI: InChI=1/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-61,63-64,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1
InChIKey: InChIKey=OHPUYFQRCCBDGL-OFWAWROCBL
SMILES: CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=C4C(=C3C)O)O)C(=O)C6(C(C5)C(C(=O)C(=C6O)C(=O)C)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)(C)O)O)O
Names:
C12388
Premithramycin B
(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-9-[(2S,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-4,6,7-trihydroxy-1-methoxy-8-methyl-12,12a-dihydro-1H-tetracene-2,5-dione
Registries:
PubChem CID 443800
PubChem ID 582778
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