Antlermicin a

Structural Information

Molecular Formula

C₆₇H₉₆N₂O₂₄

SMILES

C[C@H]1C[C@@H]([C@@H]([C@@H]2[C@@H]1[C@]\3([C@@H](C=C2)/C(=C\C[C@@H](/C(=C/[C@@H]4[C@H](CC(=CC45C(=O)/C(=C3\O)/C(=O)O5)C=O)O)/C)O[C@H]6C[C@]([C@H]([C@H](O6)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)OC(=O)C)O[C@H]8CC[C@H]([C@@H](O8)C)O[C@H]9C[C@H]([C@H]([C@@H](O9)C)O[C@H]1CC[C@H]([C@@H](O1)C)O)O)C

InChI

InChI=1S/C67H96N2O24/c1-30-14-18-47(88-54-28-65(11,69(79)80)60(38(9)86-54)68-64(78)81-13)31(2)23-43-45(73)24-40(29-70)27-67(43)62(76)55(63(77)93-67)61(75)66(12)42(30)16-15-41-56(66)32(3)22-33(4)57(41)92-53-26-49(59(37(8)85-53)87-39(10)71)90-50-21-19-48(35(6)83-50)89-52-25-46(74)58(36(7)84-52)91-51-20-17-44(72)34(5)82-51/h14-16,23,27,29,32-38,41-54,56-60,72-75H,17-22,24-26,28H2,1-13H3,(H,68,78)/b30-14-,31-23+,61-55+/t32-,33-,34-,35-,36-,37-,38+,41-,42-,43+,44+,45-,46+,47-,48+,49+,50-,51-,52-,53-,54-,56+,57-,58-,59-,60-,65-,66+,67?/m0/s1

InChIKey

QJHKLHNBQRGOCT-QRKDYCPOSA-N

Compound name

[(2S,3S,4R,6R)-6-[[(5S,6R,7E,9S,11Z,13S,16S,17S,18S,20S,21R,22S,23E)-3-formyl-5,23-dihydroxy-9-[(2R,4S,5R,6R)-5-(methoxycarbonylamino)-4,6-dimethyl-4-nitrooxan-2-yl]oxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-2,7,11,14,23-pentaen-17-yl]oxy]-4-[(2S,5R,6S)-5-[(2S,4R,5R,6S)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate

Related CIDs

• CID 54681516