6-[[(2r,3s,4r,5r,7r,9r,10r,11s,12s,13r)-10-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4-hydroxy-12-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula

C₄₄H₇₇NO₁₉

SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[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)OC)C)C)O)(C)OC4C(C(C(C(O4)C(=O)O)O)O)O

InChI

InChI=1S/C44H77NO19/c1-15-26-44(10,64-41-32(50)30(48)31(49)34(62-41)38(53)54)35(51)21(4)28(46)19(2)17-43(9,57-14)37(63-40-29(47)25(45(11)12)16-20(3)58-40)22(5)33(23(6)39(55)60-26)61-27-18-42(8,56-13)36(52)24(7)59-27/h19-27,29-37,40-41,47-52H,15-18H2,1-14H3,(H,53,54)/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30?,31?,32?,33+,34?,35-,36+,37-,40+,41?,42-,43-,44-/m1/s1

InChIKey

MJZNXMJWSHTNLK-RCVWKLDGSA-N

Compound name

6-[[(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4-hydroxy-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 170455164