Everninomicin d

Structural Information

Molecular Formula

C₆₆H₉₉Cl₂NO₃₅

SMILES

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@]3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](C[C@]4(O3)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)O[C@H]7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@](CO9)([C@H](C)OC)O)OCO1)OC)COC)O)C)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C

InChI

InChI=1S/C66H99Cl2NO35/c1-25-39(50(81-13)41(68)42(71)40(25)67)58(74)97-46-26(2)89-36(17-33(46)93-37-19-62(8,69(76)77)54(84-16)29(5)90-37)95-45-28(4)100-65(18-32(45)70)103-55-30(6)91-38(20-63(55,9)104-65)96-51-44(73)59(92-27(3)47(51)80-12)98-48-34(21-78-10)94-61(52(82-14)43(48)72)99-60-53(83-15)49-35(22-85-60)101-66(102-49)57-56(86-24-87-57)64(75,23-88-66)31(7)79-11/h26-38,43-49,51-57,59-61,70-73,75H,17-24H2,1-16H3/t26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38+,43+,44-,45-,46-,47+,48-,49-,51-,52+,53-,54+,55-,56-,57-,59+,60+,61+,62+,63-,64-,65-,66-/m1/s1

InChIKey

HZLMUDOBOCVXQT-YOQBUGDQSA-N

Compound name

[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]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-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

Related CIDs

• CID 5490208