SpectraBase Spectrum ID |
H9JcPgLsJwV |
Name |
1H-Pyrrole-2-pentanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-.beta.,.beta.,3-trimethyl-.gamma.-nitro-, methyl ester, (.+-.)- |
CAS Registry Number |
133585-68-9 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H34N2O8 |
InChI |
InChI=1S/C22H34N2O8/c1-13-14(9-10-17(25)30-7)19(20(27)32-21(2,3)4)23-15(13)11-16(24(28)29)22(5,6)12-18(26)31-8/h16,23H,9-12H2,1-8H3 |
InChIKey |
QUNKXVNGTYHAHF-UHFFFAOYSA-N |
Molecular Weight |
454.520 g/mol |
SMILES |
[nH]1c(c(c(c1CC(N(=O)=O)C(CC(=O)OC)(C)C)C)CCC(=O)OC)C(OC(C)(C)C)=O |
SPLASH |
splash10-0fb9-0094100000-104eda3f9b46457d5fe4 |
Source of Spectrum |
AH-121-895-0 |
Synonyms |
(rac)-tert-butyl-3-(2-methoxycarbonylethyl)-4-methyl-5-(2-nitro-3,3-dimethyl-methoxycarbonylbutyl)-pyrrole-2-carboxylate
tert-Butyl 5-(5-methoxy-3,3-dimethyl-2-nitro-5-oxopentyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate |
Wiley ID |
1388709 |