(1S,2R,19R,20Z,22S,34S,37R,38Z,40R,53E,55Z,58Z)-22-Amino-5,15,43-trichloro-2,21,26,31,35,38,44,47,49,54,56,59,64-tridecahydroxy-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^3,6.2^{14, 17}.2^19,34.1^8,12.1^23,27.1^29,33.1^41,45.0^10,37.0^46,51]hexahexaconta-3,5,8(64),9,11,14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46,48,50,53,55,58,62,65-heptacosaene-52-carboxylic acid

More details:

• Systematic name

  (1S,2R,19R,20Z,22S,34S,37R,38Z,40R,53E,55Z,58Z)-22-Amino-5,15,43-trichloro-2,21,26,31,35,38,44,47,49,54,56,59,64-tridecahydroxy-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2~3,6~.2~14, 17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,37~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46,48,50,53,55,58,62,65-heptacosaene-52-carboxylic acid

• SMILES

  c1cc2c(cc1C[C@@H]\3/C(=N/[C@@H](c4cc(cc(c4)Oc5cc(ccc5O)[C@@H](/C(=N3)/O)N)O)/C(=N/[C@@H]\6c7cc(c(c(c7)Oc8ccc(cc8Cl)[C@H]([C@H]\9/C(=N\C(c1cc(cc(c1-c1cc(cc(c1O)Cl)[C@H](/C(=N9)/O)/N=C6\O)O)O)C(=O)O)/O)O)O)O2)/O)/O)Cl

• Std. InChi

  InChI=1S/C58H44Cl3N7O18/c59-31-7-20-1-5-37(31)85-40-15-25-16-41(51(40)75)86-38-6-3-22(12-32(38)60)49(73)48-57(81)67-47(58(82)83)29-18-27(70)19-36(72)42(29)30-11-24(13-33(61)50(30)74)45(56(80)68-48)65-55(79)46(25)66-54(78)44-23-9-26(69)17-28(10-23)84-39-14-21(2-4-35(39)71)43(62)53(77)63-34(8-20)52(76)64-44/h1-7,9-19,34,43-49,69-75H,8,62H2,(H,63,77)(H,64,76)(H,65,79)(H,66,78)(H,67,81)(H,68,80)(H,82,83)/t34-,43+,44+,45-,46-,47?,48+,49-/m1/s1

• Std. InChIKey

  KJTFTWQSEBLIPM-HKSKXXLXSA-N

• Cite this record

  CSID:58837304, http://www.chemspider.com/Chemical-Structure.58837304.html (accessed 21:05, Apr 25, 2024)