2,2',2'',2''',2'''',2'''''-{[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,32,33,34,35,36,37,38,39,40,41,42-Dodecahydroxy-2,4, 7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26]dotetracontane-5,10,15,20,25,30-hexayl]hexakis(methylene)}hexaguanidine hexahydrochloride (non-preferre d name)

More details:

• Systematic name

  2,2',2'',2''',2'''',2'''''-{[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,32,33,34,35,36,37,38,39,40,41,42-Dodecahydroxy-2,4, 7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-5,10,15,20,25,30-hexayl]hexakis(methylene)}hexaguanidine hexahydrochloride (non-preferre d name)

• SMILES

  C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CN=C(N)N)CN=C(N)N)CN=C(N)N)CN=C(N)N)CN=C(N)N)O)O)N=C(N)N.Cl.Cl.Cl.Cl.Cl.Cl

• Std. InChi

  InChI=1S/C42H78N18O24.6ClH/c43-37(44)55-1-7-25-13(61)19(67)31(73-7)80-26-8(2-56-38(45)46)75-33(21(69)15(26)63)82-28-10(4-58-40(49)50)77-35(23(71)17(28)65)84-30-12(6-60-42(53)54)78-36(24(72)18(30)66)83-29-11(5-59-41(51)52)76-34(22(70)16(29)64)81-27-9(3-57-39(47)48)74-32(79-25)20(68)14(27)62;;;;;;/h7-36,61-72H,1-6H2,(H4,43,44,55)(H4,45,46,56)(H4,47,48,57)(H4,49,50,58)(H4,51,52,59)(H4,53,54,60);6*1H/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;;;;;;/m1....../s1

• Std. InChIKey

  VCYXZQIXIBNXMM-WWKXUIADSA-N

• Cite this record

  CSID:13088288, http://www.chemspider.com/Chemical-Structure.13088288.html (accessed 17:35, May 16, 2024)