(1S,2R,4R,6S,9R,10R,12R,14S,17R,18R,20R,22S,25S,26R,28R,30S,33R,34R,36R,38S,41R,42R,44R,46S,49R,50R,51R,52R,53R,54R)-50,51,53,54-Tetrabutoxy-3,5,8,11,13,16,19,21,24,27,29,32,35,37,40,43,45,48-octadeca oxatridecacyclo[42.4.1.1^4,9.1^12,17.1^20,25.1^28,33.1^36,41.0^2,46.0^6,10.0^14,18.0^22,26.0^30,34.0^38,42]tetrapentacontane-49,52-diol

More details:

• Systematic name

  (1S,2R,4R,6S,9R,10R,12R,14S,17R,18R,20R,22S,25S,26R,28R,30S,33R,34R,36R,38S,41R,42R,44R,46S,49R,50R,51R,52R,53R,54R)-50,51,53,54-Tetrabutoxy-3,5,8,11,13,16,19,21,24,27,29,32,35,37,40,43,45,48-octadeca oxatridecacyclo[42.4.1.1~4,9~.1~12,17~.1~20,25~.1~28,33~.1~36,41~.0~2,46~.0~6,10~.0~14,18~.0~22,26~.0~30,34~.0~38,42~]tetrapentacontane-49,52-diol

• SMILES

  O1[C@H]%13[C@H]%12OC[C@@H]%13O[C@H](O[C@H]%11[C@H]%10OC[C@@H]%11O[C@H](O[C@H]9[C@H]8OC[C@@H]9O[C@H](O[C@H]7[C@H]6OC[C@@H]7O[C@H](O[C@H]5[C@H]4OC[C@@H]5O[C@H](O[C@@H]3[C@H]2O[C@H]1[C@H](O)[C@@H]3OC2)[C@@H]4OCCCC)[C@@H]6OCCCC)[C@@H]8O)[C@@H]%10OCCCC)[C@@H]%12OCCCC

• Std. InChi

  InChI=1S/C52H80O24/c1-5-9-13-55-43-39-33-25(19-61-39)67-51(43)75-35-27-21-63-41(35)45(57-15-11-7-3)49(69-27)73-32-24-18-60-38(32)30(54)48(66-24)72-34-26-20-62-40(34)44(56-14-10-6-2)52(68-26)76-36-28-22-64-42(36)46(58-16-12-8-4)50(70-28)74-31-23-17-59-37(31)29(53)47(65-23)71-33/h23-54H,5-22H2,1-4H3/t23?,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+,49+,50+,51+,52+/m0/s1

• Std. InChIKey

  MTYBRVHBIJKMET-HETUNEGLSA-N

• Cite this record

  CSID:9345778, http://www.chemspider.com/Chemical-Structure.9345778.html (accessed 22:16, Apr 19, 2024)