| SpectraBase Spectrum ID |
FRY4AZZDJd |
| 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-25,26,27,28-tetrol, 5,17-bis(1,1-dimethylethyl)-11,23-dinitro-, stereoisomer |
| CAS Registry Number |
127679-87-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H38N2O8 |
| InChI |
InChI=1S/C36H38N2O8/c1-35(2,3)25-13-21-11-19-7-9-29(37(43)44)27(33(19)41)17-23-15-26(36(4,5)6)16-24(32(23)40)18-28-30(38(45)46)10-8-20(34(28)42)12-22(14-25)31(21)39/h7-10,13-16,39-42H,11-12,17-18H2,1-6H3 |
| InChIKey |
LXDZVIZIEYTIEA-UHFFFAOYSA-N |
| Molecular Weight |
626.706 g/mol |
| SMILES |
Oc1c2ccc(c1Cc1c(c(Cc3c(c(Cc4c(c(C2)cc(c4)C(C)(C)C)O)ccc3N(=O)=O)O)cc(c1)C(C)(C)C)O)N(=O)=O |
| SPLASH |
splash10-0adi-0000093000-10d61ee659692b5db32a |
| Source of Spectrum |
F-46-679-17 |
| Synonyms |
11,23-di-tert-butyl-5,17-dinitro-25,26,27,28-tetrahydroxycalix[4]arene
11,23-ditert-butyl-4,18-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-25,26,27,28-tetrol |
| Wiley ID |
1411892 |
![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-25,26,27,28-tetrol, 5,17-bis(1,1-dimethylethyl)-11,23-dinitro-, stereoisomer](/api/spectrum/FRY4AZZDJd/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-25,26,27,28-tetrol, 5,17-bis(1,1-dimethylethyl)-11,23-dinitro-, stereoisomer")
