193685-70-0

Structural Information

Molecular Formula

C₈₄H₁₁₂ClN₁₁O₂₆

SMILES

CCCCCCCCCCNCC1=C(C=C2[C@H](NC(=O)[C@@H]3[C@@H](C4=CC=C(C=C4)OC5=C(C6=CC(=C5)[C@H](C(=O)N[C@H](C7=CC(=C(C=C7)O)C2=C1O)C(=O)N3)NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C8=CC(=C(O6)C=C8)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)OC9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)C(=O)O)O

InChI

InChI=1S/C84H112ClN11O26/c1-9-10-11-12-13-14-15-16-25-90-35-47-52(99)31-46-60(67(47)102)45-27-41(19-23-51(45)98)61-77(109)96-65(80(112)94-63(46)81(113)114)70(120-58-33-83(6,87)73(105)38(4)115-58)40-17-21-44(22-18-40)117-54-29-43-30-55(71(54)122-82-72(69(104)68(103)56(36-97)119-82)121-59-34-84(7,88)74(106)39(5)116-59)118-53-24-20-42(28-48(53)85)66(101)64(95-75(107)49(89-8)26-37(2)3)79(111)91-50(32-57(86)100)76(108)92-62(43)78(110)93-61/h17-24,27-31,37-39,49-50,56,58-59,61-66,68-70,72-74,82,89-90,97-99,101-106H,9-16,25-26,32-36,87-88H2,1-8H3,(H2,86,100)(H,91,111)(H,92,108)(H,93,110)(H,94,112)(H,95,107)(H,96,109)(H,113,114)/t38-,39-,49+,50-,56+,58-,59-,61+,62+,63-,64+,65-,66+,68+,69-,70+,72+,73-,74-,82?,83-,84-/m0/s1

InChIKey

JTDAROZMRNESRQ-KEEUIRLWSA-N

Compound name

(1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-48-[(3R,4S,5S,6R)-3-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-15-chloro-36-[(decylamino)methyl]-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34,36,38,46-pentadecaene-40-carboxylic acid

Related CIDs

• CID 509534