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- Double-bond stereo
- 36 of 40 defined stereocentres
4-[(E)-(2-Oxocycloheptylidene)methyl]benzonitrile - (1R,3R,5R,6R,8R,10R,11R,13R,15R,18R,20R,21R,23R,25R,26R,28S,30R,31R,33R,35R,38R,40R,41S,42R,43S,44R,45S,46R,47S,48R,50R,52R,53S,54R,55S,56R)-41,42,4 3,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecamethoxy-5,10,15,20,25,30,35,40-octakis(methoxymethyl)-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 (1:1)
COC[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]3OC)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OC)OC)O[C@H]5[C@H](O[C@@H]([C@@H]([C@@H]5OC)OC)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OC)OC)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OC)OC)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8OC)OC)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9OC)OC)COC)COC)COC)COC)COC)COC)COC)OC)OC.c1cc(ccc1/C=C/2\CCCCCC2=O)C#N
InChI=1S/C72H128O40.C15H15NO/c1-73-25-33-41-49(81-9)57(89-17)65(97-33)106-42-34(26-74-2)99-67(59(91-19)50(42)82-10)108-44-36(28-76-4)101-69(61(93-21)52(44)84-12)110-46-38(30-78-6)103-71(63(95-23)54(46)86-14)112-48-40(32-80-8)104-72(64(96-24)56(48)88-16)111-47-39(31-79-7)102-70(62(94-22)55(47)87-15)109-45-37(29-77-5)100-68(60(92-20)53(45)85-13)107-43-35(27-75-3)98-66(105-41)58(90-18)51(43)83-11;16-11-13-8-6-12(7-9-13)10-14-4-2-1-3-5-15(14)17/h33-72H,25-32H2,1-24H3;6-10H,1-5H2/b;14-10+/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47?,48?,49+,50+,51+,52+,53+,54+,55?,56?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-;/m1./s1
RWUIJTLILRLIGQ-BUXIDQEPSA-N
CSID:30652946, http://www.chemspider.com/Chemical-Structure.30652946.html (accessed 13:33, Jun 3, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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