(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)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-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-31,32,33,34,35,36,37,38,39,40,41,42-dodecol hydrate (1:1) (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,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-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-31,32,33,34,35,36,37,38,39,40,41,42-dodecol hydrate (1:1) (non-preferred name)

• SMILES

  C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H](CO)O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@@H](CO)O[C@@H]([C@@H]([C@H]7O)O)O2)O)O)O.O 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)CO)CO)CO)CO)CO)O)O)O.O

• Std. InChi

  InChI=1S/C36H60O30.H2O/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;/h7-54H,1-6H2;1H2/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

  UQIQLAUJPPOBJR-PMLZBVDLSA-N

• Cite this record

  CSID:64858238, http://www.chemspider.com/Chemical-Structure.64858238.html (accessed 10:47, May 21, 2024)