Ditrisarubicin c

Structural Information

Molecular Formula

C₆₀H₈₀N₂O₂₁

SMILES

CC[C@]1(C[C@@H](C2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4CCC([C@@H](O4)C)O[C@H]5C=CC(=O)[C@@H](O5)C)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O[C@H]8C[C@@H]([C@@H]([C@@H](O8)C)O[C@H]9C[C@H]1[C@@H]([C@@H](O9)C)O[C@H]2[C@@H](O1)CC(=O)[C@@H](O2)C)N(C)C)O

InChI

InChI=1S/C60H80N2O21/c1-12-60(70)24-40(79-43-20-32(61(8)9)56(29(6)73-43)81-45-23-38-57(30(7)75-45)83-59-39(77-38)22-36(65)26(3)76-59)47-50(54(69)48-49(53(47)68)52(67)46-31(51(48)66)14-13-15-35(46)64)58(60)82-44-21-33(62(10)11)55(28(5)74-44)80-42-19-17-37(27(4)72-42)78-41-18-16-34(63)25(2)71-41/h13-16,18,25-30,32-33,37-45,55-59,64,68-70H,12,17,19-24H2,1-11H3/t25-,26-,27-,28-,29-,30-,32-,33-,37?,38-,39-,40-,41-,42-,43-,44-,45-,55+,56+,57+,58+,59-,60+/m0/s1

InChIKey

SGOOJJACKKMDRV-NCSOINJOSA-N

Compound name

(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Related CIDs

• CID 160288