6-[[(2r,3r,4r,5r,8r,10r,11r,12s,13s,14r)-11-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula

C₄₄H₈₀N₂O₁₈

SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)OC4C(C(C(C(O4)C(=O)O)O)O)O)(C)O

InChI

InChI=1S/C44H80N2O18/c1-15-27-44(10,56)37(64-41-32(50)30(48)31(49)34(62-41)38(52)53)24(6)46(13)19-20(2)17-42(8,55)36(63-40-29(47)26(45(11)12)16-21(3)58-40)22(4)33(23(5)39(54)60-27)61-28-18-43(9,57-14)35(51)25(7)59-28/h20-37,40-41,47-51,55-56H,15-19H2,1-14H3,(H,52,53)/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30?,31?,32?,33+,34?,35+,36-,37-,40+,41?,42-,43-,44-/m1/s1

InChIKey

BTYUSVNTLGJNJS-HAVQIMHBSA-N

Compound name

6-[[(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 170454273