(4z,6e)-2,3-dihydroxy-n-[2-[[(2s,3r)-3-hydroxy-1-[[(z,6s,7s,8r)-6-[2-[(4r,8r,14r,25s)-17-[(1r)-1-hydroxyethyl]-8-(methoxymethyl)-20-[(s)-methoxy-[4-[(3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]-14,16,25-trimethyl-2,6,9,12,15,18,21-heptaoxo-4-propan-2-yl-3-oxabicyclo[20.4.0]hexacosan-5-yl]acetyl]-7,8-dimethyl-4,9-dioxodec-2-en-3-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]-2,6,8-trimethyldeca-4,6-dienamide

Structural Information

Molecular Formula

C₈₂H₁₂₃N₃O₂₅

SMILES

CCC(C)/C=C(\C)/C=C\C(C(C)(C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N/C(=C\C)/C(=O)C[C@@H]([C@@H](C)[C@@H](C)C(=O)C)C(=O)CC1[C@H](OC(=O)C2C[C@H](CCC2C(=O)C(CC(=O)C(C(C(=O)[C@@H](CC(=O)CCC(=O)[C@H](CC1=O)COC)C)C)[C@@H](C)O)[C@@H](C3=CC=C(C=C3)OC4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)OC)C)C(C)C)O)O

InChI

InChI=1S/C82H123N3O25/c1-19-41(5)31-42(6)22-30-67(95)82(16,105)81(104)83-38-68(96)85-70(50(14)88)78(102)84-61(20-2)65(93)35-57(46(10)45(9)48(12)86)64(92)36-59-63(91)34-53(39-106-17)62(90)29-25-54(89)33-44(8)71(97)47(11)69(49(13)87)66(94)37-60(73(99)56-28-21-43(7)32-58(56)79(103)110-76(59)40(3)4)77(107-18)52-23-26-55(27-24-52)109-80-75(101)74(100)72(98)51(15)108-80/h20,22-24,26-27,30-31,40-41,43-47,49-51,53,56-60,67,69-70,72,74-77,80,87-88,95,98,100-101,105H,19,21,25,28-29,32-39H2,1-18H3,(H,83,104)(H,84,102)(H,85,96)/b30-22-,42-31+,61-20-/t41?,43-,44+,45+,46-,47?,49+,50+,51-,53+,56?,57-,58?,59?,60?,67?,69?,70-,72-,74+,75+,76+,77+,80?,82?/m0/s1

InChIKey

KNSQBKWSYJYWGV-PPCOBLKOSA-N

Compound name

(4Z,6E)-2,3-dihydroxy-N-[2-[[(2S,3R)-3-hydroxy-1-[[(Z,6S,7S,8R)-6-[2-[(4R,8R,14R,25S)-17-[(1R)-1-hydroxyethyl]-8-(methoxymethyl)-20-[(S)-methoxy-[4-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]-14,16,25-trimethyl-2,6,9,12,15,18,21-heptaoxo-4-propan-2-yl-3-oxabicyclo[20.4.0]hexacosan-5-yl]acetyl]-7,8-dimethyl-4,9-dioxodec-2-en-3-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]-2,6,8-trimethyldeca-4,6-dienamide

Related CIDs

• CID 176457393