(5R,8S,11R,12S,15S,22R)-15-Benzyl-8-isobutyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaa zacyclopentacosane-11,22-dicarboxylic acid

More details:

• Systematic name

  (5R,8S,11R,12S,15S,22R)-15-Benzyl-8-isobutyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaa zacyclopentacosane-11,22-dicarboxylic acid

• SMILES

  O([C@]([C@](\C(=C(\C(=C(\C1(N(C(=O)[C@@](N(C(=O)[C@]([C@@](N(C(=O)[C@@](N(C(=O)[C@](N(C(=O)C(N(C(=O)C(C([C@@](N(C(=O)C1(C([H])([H])[H])[H])[H])(C(O[H])=O)[H])([H])[H])([H])[H])C([H])([H])[H])=C([H])[H ])[H])(C([H])([H])[H])[H])[H])(C(C(C([H])([H])[H])(C([H])([H])[H])[H])([H])[H])[H])[H])(C(O[H])=O)[H])(C([H])([H])[H])[H])[H])(C(C2=C(C(=C(C(=C2[H])[H])[H])[H])[H])([H])[H])[H])[H])[H])/[H])\[H])/C([H ])([H])[H])\[H])(C([H])([H])[H])[H])(C(C3=C(C(=C(C(=C3[H])[H])[H])[H])[H])([H])[H])[H])C([H])([H])[H] C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)C(C(NC(=O)[C@@H](NC1=O)Cc2ccccc2)/C=C/C(=C/[C@H](C)[C@H](Cc3ccccc3)OC)/C)C)C(=O)O)C)C)CC(C)C)C(=O)O

• Std. InChi

  InChI=1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32?,33-,34+,38?,39+,40-,41-,42-,44+/m0/s1

• Std. InChIKey

  FEVBMCJUKWWWBT-WMNGZLKISA-N

• Cite this record

  CSID:58163623, http://www.chemspider.com/Chemical-Structure.58163623.html (accessed 08:03, May 12, 2024)