Antibiotic rp 21190

Structural Information

Molecular Formula

C₆₁H₈₈Cl₂O₃₃

SMILES

C[C@H]1C[C@H](C[C@H]([C@@H]1OC(=O)C2=C(C(=C(C(=C2OC)Cl)O)Cl)C)O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H]([C@H]([C@]5(O4)C)O)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)O)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C

InChI

InChI=1S/C61H88Cl2O33/c1-20(2)51(71)86-46-41-31(93-61(94-41)50-49(80-19-81-50)60(74,25(7)64)26(8)92-61)18-79-55(46)90-56-44(77-12)36(68)40(30(84-56)17-75-10)87-54-37(69)43(45(78-13)53(73)89-54)88-57-47(70)58(9)48(24(6)82-57)95-59(96-58)16-29(66)39(23(5)91-59)83-27-14-21(3)38(28(65)15-27)85-52(72)32-22(4)33(62)35(67)34(63)42(32)76-11/h20-21,23-24,26-31,36-41,43-50,53-57,65-70,73-74H,14-19H2,1-13H3/t21-,23+,24+,26+,27+,28+,29+,30+,31-,36-,37+,38+,39+,40+,41+,43+,44-,45+,46+,47+,48+,49+,50+,53-,54+,55-,56-,57-,58+,59+,60-,61+/m0/s1

InChIKey

ATJWHTJURZPAPG-CFNSFCSXSA-N

Compound name

[(1R,2R,4R,6S)-4-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2R,3R,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3,6-dihydroxy-5-methoxyoxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-2-hydroxy-6-methylcyclohexyl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

Related CIDs

• CID 3037920