(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,40R,41S,42R,43S,44R,45S,46R,48S,49S,50S,51S,52S,53S,54S,56R)-5,10,15,20,25,30,35,40-Octakis[hydroxy(²H₂)methyl]( 42,44,46,48,50,52,54,56-²H₈)-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

  (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,40R,41S,42R,43S,44R,45S,46R,48S,49S,50S,51S,52S,53S,54S,56R)-5,10,15,20,25,30,35,40-Octakis[hydroxy(~2~H_2_)methyl]( 42,44,46,48,50,52,54,56-~2~H_8_)-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

  [2H]C([2H])(O)[C@H]1O[C@@H]2O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](OC6[C@H](O[C@H](O[C@@H]7[C@H](O[C@H](O[C@@H]8[C@H](OC(O[C@@H]9[C@H](O[C@H](O[C@H]1[C@H](O)[C@@]2([2H])O)[C@]([2H])(O)[C@H]9O)C([2H])([2H])O)[C@]([2H])(O)[C@H]8O)C([2H])([2H])O)[C@]([2H])(O)C7O)C([2H])([2H])O)[C@@]([2H])(O)[C@H]6O)C([2H])([2H])O)[C@@]([2H])(O)[C@H]5O)C([2H])([2H])O)[C@@]([2H])(O)[C@H]4O)C([2H])([2H])O)[C@@]([2H])(O)C3O)C([2H])([2H])O

• 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-/m1/s1/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,25D,26D,27D,28D,29D,30D,31D,32D

• Std. InChIKey

  GDSRMADSINPKSL-KDVWRFPUSA-N

• Cite this record

  CSID:128919607, http://www.chemspider.com/Chemical-Structure.128919607.html (accessed 21:48, May 28, 2024)