| SpectraBase Spectrum ID |
AVJBJCaAGHS |
| Name |
5-(Ethoxycarbonyl)-25,26,27,28-tetrahydroxy-11,23-dimethyl-17-nitrocalix[4]arene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H31NO8 |
| InChI |
InChI=1S/C33H31NO8/c1-4-42-33(39)27-13-23-9-19-5-17(2)7-21(29(19)35)11-25-15-28(34(40)41)16-26(32(25)38)12-22-8-18(3)6-20(30(22)36)10-24(14-27)31(23)37/h5-8,13-16,35-38H,4,9-12H2,1-3H3 |
| InChIKey |
OBACWGOXKQAWNK-UHFFFAOYSA-N |
| Molecular Weight |
569.610 g/mol |
| SMILES |
Oc1c2cc(cc1Cc1c(c(Cc3cc(cc(Cc4c(c(C2)cc(c4)C)O)c3O)C(=O)OCC)cc(c1)C)O)N(=O)=O |
| SPLASH |
splash10-00di-0000090000-c0b99a912d20eb21e430 |
| Source of Spectrum |
J-56-3376-21 |
| Synonyms |
Ethyl 25,26,27,28-tetrahydroxy-11,23-dimethyl-17-nitropentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5-carboxylate |
| Wiley ID |
1407643 |
![5-(Ethoxycarbonyl)-25,26,27,28-tetrahydroxy-11,23-dimethyl-17-nitrocalix[4]arene](/api/spectrum/AVJBJCaAGHS/structure.png?h=300&w=458 "5-(Ethoxycarbonyl)-25,26,27,28-tetrahydroxy-11,23-dimethyl-17-nitrocalix[4]arene")
