| SpectraBase Spectrum ID |
5q8UxJDLUBi |
| Name |
1,3-Cyclobutanedicarboxylic acid, 1-cyano-2-[4-[2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxo-1-propenyl)phenyl]-2-(ethoxycarbonyl)-4-[(1-methylpropoxy)carbonyl]cyclobutyl]phenyl]-4 -[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-ethyl 3-(1-methylpropyl) ester, [1S-[1.alpha.,2.alpha.[1R*,2R*,3R*(E),4S*(R*)],3.beta.(R*),4.beta.[E(R*)]]]- |
| CAS Registry Number |
66885-69-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C57H63N3O12 |
| InChI |
InChI=1S/C57H63N3O12/c1-10-34(7)70-44(61)29-20-37-16-21-39(22-17-37)47-45(52(63)71-35(8)11-2)49(56(47,32-59)54(65)68-14-5)41-25-27-42(28-26-41)50-46(53(64)72-36(9)12-3)48(57(50,33-60)55(66)69-15-6)40-23-18-38(19-24-40)30-43(31-58)51(62)67-13-4/h16-30,34-36,45-50H,10-15H2,1-9H3/b29-20+,43-30+/t34-,35?,36-,45-,46?,47+,48?,49+,50?,56-,57?/m0/s1 |
| InChIKey |
JRLIKKHGKWHTQM-PSKCAONRSA-N |
| Molecular Weight |
982.140 g/mol |
| SMILES |
[C@@]1([C@](c2ccc(C3C(C(=O)OCC)(C#N)C(C3C(O[C@](CC)(C)[H])=O)c3ccc(\C=C\(C(=O)OCC)C#N)cc3)cc2)([C@]([C@]1(c1ccc(\C=C\C(=O)O[C@](CC)(C)[H])cc1)[H])(C(OC(CC)C)=O)[H])[H])(C(=O)OCC)C#N |
| SPLASH |
splash10-0fl0-0095000000-c72b9973b3e27fd9b8b5 |
| Source of Spectrum |
C-100-2843-0 |
| Synonyms |
Ethyl 1-cn-3-S-butoxy-c(o)-2-(p-S-butyl-3'-(E)-propenoate)phenyl-4-(p-(3-(p-et-2-cn-propenoate)phenyl-1-cn-3-S-butoxy-c(o)-cyclobutanoic acid- |
| Wiley ID |
1418342 |
![1,3-Cyclobutanedicarboxylic acid, 1-cyano-2-[4-[2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxo-1-propenyl)phenyl]-2-(ethoxycarbonyl)-4-[(1-methylpropoxy)carbonyl]cyclobutyl]phenyl]-4 -[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-ethyl 3-(1-methylpropyl) ester, [1S-[1.alpha.,2.alpha.[1R*,2R*,3R*(E),4S*(R*)],3.beta.(R*),4.beta.[E(R*)]]]-](/api/spectrum/5q8UxJDLUBi/structure.png?h=300&w=458 "1,3-Cyclobutanedicarboxylic acid, 1-cyano-2-[4-[2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxo-1-propenyl)phenyl]-2-(ethoxycarbonyl)-4-[(1-methylpropoxy)carbonyl]cyclobutyl]phenyl]-4 -[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-ethyl 3-(1-methylpropyl) ester, [1S-[1.alpha.,2.alpha.[1R*,2R*,3R*(E),4S*(R*)],3.beta.(R*),4.beta.[E(R*)]]]-")
