| SpectraBase Spectrum ID |
1gtXbfWKlfS |
| Name |
2-Butenoic acid, 4-[[[[5,6-dihydro-6-(3,4,5-trimethoxyphenyl)cyclobuta[f]-1,3-benzodioxol-5-yl]oxy]carbonyl]amino]-, methyl ester, [5.alpha.(E),6.beta.]-(.+-.)- |
| CAS Registry Number |
115183-56-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H25NO9 |
| InChI |
InChI=1S/C24H25NO9/c1-28-18-8-13(9-19(29-2)23(18)31-4)21-14-10-16-17(33-12-32-16)11-15(14)22(21)34-24(27)25-7-5-6-20(26)30-3/h5-6,8-11,21-22H,7,12H2,1-4H3,(H,25,27)/b6-5+/t21-,22-/m0/s1 |
| InChIKey |
NPWUTSYQGMTSLC-ONWRLUPVSA-N |
| Molecular Weight |
471.462 g/mol |
| SMILES |
N(C(O[C@]1(c2c(cc3c(c2)OCO3)[C@@]1(c1cc(OC)c(c(c1)OC)OC)[H])[H])=O)C\C=C\C(=O)OC |
| SPLASH |
splash10-03k9-0009700000-9fb7ae5e3060e1f49f1a |
| Source of Spectrum |
J-53-3667-16 |
| Synonyms |
Cyclobuta[f]-1,3-benzodioxole, 2-butenoic acid deriv.
3,4-Methylenedioxy-8-((3'-methoxycarbonyl-2'-propenyl)carbamoyloxy)-7-(3,4,5-trimethoxyphenyl)-bicyclo[4.2.0]octa-1,3,5-triene
methyl (2E)-4-[({[(5R,6S)-6-(3,4,5-trimethoxyphenyl)-5,6-dihydrocyclobuta[f][1,3]benzodioxol-5-yl]oxy}carbonyl)amino]-2-butenoate |
| Wiley ID |
1393106 |
![2-Butenoic acid, 4-[[[[5,6-dihydro-6-(3,4,5-trimethoxyphenyl)cyclobuta[f]-1,3-benzodioxol-5-yl]oxy]carbonyl]amino]-, methyl ester, [5.alpha.(E),6.beta.]-(.+-.)-](/api/spectrum/1gtXbfWKlfS/structure.png?h=300&w=458 "2-Butenoic acid, 4-[[[[5,6-dihydro-6-(3,4,5-trimethoxyphenyl)cyclobuta[f]-1,3-benzodioxol-5-yl]oxy]carbonyl]amino]-, methyl ester, [5.alpha.(E),6.beta.]-(.+-.)-")
