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(Z,2RS,3SR)-9-(TERT.-BUTOXYCARBONYL)-2,3-DIHYDRO-3-(2-HYDROXYETHYL)-8-[2-(METHOXYCARBONYL)-ETHYL]-2,7-DIMETHYLDIPYRRIN-1(10H)-ONE
SpectraBase Compound ID CwOKgvcbRV3
InChI InChI=1S/C22H32N2O6/c1-12-15(7-8-18(26)29-6)19(21(28)30-22(3,4)5)23-16(12)11-17-14(9-10-25)13(2)20(27)24-17/h11,13-14,23,25H,7-10H2,1-6H3,(H,24,27)/b17-11-/t13-,14+/m0/s1
InChIKey IKSFHWDSYUHRAE-ILWXYBAZSA-N
Mol Weight 420.5 g/mol
Molecular Formula C22H32N2O6
Exact Mass 420.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoPzWxYjQgp
Name 1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[[3-(2-hydroxyethyl)-4-methyl-5-oxo-2-pyrrolidinylidene]methyl]-4-methyl-, methyl ester, (2Z,3.alpha.,4.alpha.)-(.+-.)-
CAS Registry Number 125090-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O6
InChI InChI=1S/C22H32N2O6/c1-12-15(7-8-18(26)29-6)19(21(28)30-22(3,4)5)23-16(12)11-17-14(9-10-25)13(2)20(27)24-17/h11,13-14,23,25H,7-10H2,1-6H3,(H,24,27)/b17-11-/t13-,14+/m0/s1
InChIKey IKSFHWDSYUHRAE-ILWXYBAZSA-N
Molecular Weight 420.506 g/mol
SMILES [nH]1c(c(c(c1\C=C/1[C@](CCO)([C@](C)(C(N1)=O)[H])[H])C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0002-0943000000-4a1e15bdaff971271e0b
Source of Spectrum H-72-525-11
Synonyms (Z,2RS,3SR)-9-(t-butoxycarbonyl)-2,3-dihydro-3-(2-hydroxyethyl)-8-[2-(methoxycarbonyl}ethyl]-2,7-dimethyldipyrrin-1(10H)-one tert-Butyl 5-{(Z)-[(3R,4S)-3-(2-hydroxyethyl)-4-methyl-5-oxopyrrolidinylidene]methyl}-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1377931