| SpectraBase Spectrum ID |
GQ8RpIY5ezS |
| Name |
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxylic acid, 25,26,27,28-tetrahydroxy-11,23-dinitro-, diethyl ester, stereoisomer |
| Alternate Name(s) |
5,17-Diethoxycarbonyl-11,23-dinitro-25,26,27,28-tetrahydroxycalix[4]arene
Diethyl 25,26,27,28-tetrahydroxy-10,22-dinitropentacyclo[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-4,16-dicarboxylate |
| CAS Registry Number |
127679-88-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H30N2O12 |
| InChI |
InChI=1S/C34H30N2O12/c1-3-47-33(41)21-9-5-17-15-25-28(36(45)46)12-8-20(32(25)40)14-24-22(34(42)48-4-2)10-6-18(30(24)38)16-26-27(35(43)44)11-7-19(31(26)39)13-23(21)29(17)37/h5-12,37-40H,3-4,13-16H2,1-2H3 |
| InChIKey |
IGVVBGNLPZXUEM-UHFFFAOYSA-N |
| Molecular Weight |
658.616 g/mol |
| SMILES |
Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1c(cc2)C(=O)OCC)ccc5N(=O)=O)O)ccc4C(=O)OCC)O)ccc3N(=O)=O)O |
| SPLASH |
splash10-03di-0000009000-d86a8cc78738fd9c6696 |
| Source of Spectrum |
F-46-680-18 |
| Wiley ID |
1413473 |
![Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxylic acid, 25,26,27,28-tetrahydroxy-11,23-dinitro-, diethyl ester, stereoisomer](/api/spectrum/GQ8RpIY5ezS/structure.png?h=300&w=458 "Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxylic acid, 25,26,27,28-tetrahydroxy-11,23-dinitro-, diethyl ester, stereoisomer")
