(1R,3S,5S,6R,8S,10S,11R,13S,15S,16R,18S,20S,21R,23S,25S,26R,28S,30S,31R,33S,35S,36R,38S,40S,41S,42S,43S,44S,45S,46S,47S,48S,49S,50S,51S,52S,53S,54S,55S,56S)-5,10,15,20,25,30,35,40-Octakis(hydroxymethy l)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26.2^28,31.2^33,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56- hexadecol (non-preferred name)

More details:

• Systematic name

  (1R,3S,5S,6R,8S,10S,11R,13S,15S,16R,18S,20S,21R,23S,25S,26R,28S,30S,31R,33S,35S,36R,38S,40S,41S,42S,43S,44S,45S,46S,47S,48S,49S,50S,51S,52S,53S,54S,55S,56S)-5,10,15,20,25,30,35,40-Octakis(hydroxymethy l)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56- hexadecol (non-preferred name)

• SMILES

  O[C@@H]1[C@H]2O[C@@H]3O[C@@H](CO)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O[C@@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O[C@@H]8O[C@@H](CO)[C@H](O[C@@H]9O[C@@H](CO)[C@H](O[C@H](O[C@H]2CO)[C@H]1O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O

• Std. InChi

  InChI=1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2/t9-,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-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1

• Std. InChIKey

  GDSRMADSINPKSL-RGCCHFRPSA-N

• Cite this record

  CSID:122900397, http://www.chemspider.com/Chemical-Structure.122900397.html (accessed 01:17, May 29, 2024)