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(2SR,3SR,4SR)-9-(TERT.-BUTOXYCARBONYL)-4,3-(EPOXYETHANO)-2,3,4,5-TETRAHYDRO-8-[2-(METHOXYCARBONYL)-ETHYL]-2,7-DIMETHYL-DIPYRRIN-1(10H)-ONE
SpectraBase Compound ID NxF7fTi254
InChI InChI=1S/C22H32N2O6/c1-12-14(7-8-17(25)28-6)18(20(27)30-21(3,4)5)23-16(12)11-22-15(9-10-29-22)13(2)19(26)24-22/h13,15,23H,7-11H2,1-6H3,(H,24,26)/t13-,15+,22+/m0/s1
InChIKey DNIABQVBXTZAQI-ZIACGZRISA-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 5nDSKMR1PgW
Name 1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[(hexahydro-4-methyl-5-oxo-6aH-furo[2,3-b]pyrrol-6a-yl)methyl]-4-methyl-, methyl ester, (3a.alpha.,4.beta.,6a.alpha.)-(.+-.)-
CAS Registry Number 125090-58-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O6
InChI InChI=1S/C22H32N2O6/c1-12-14(7-8-17(25)28-6)18(20(27)30-21(3,4)5)23-16(12)11-22-15(9-10-29-22)13(2)19(26)24-22/h13,15,23H,7-11H2,1-6H3,(H,24,26)/t13-,15+,22+/m0/s1
InChIKey DNIABQVBXTZAQI-ZIACGZRISA-N
Molecular Weight 420.506 g/mol
SMILES N1C([C@]([C@@]2([C@@]1(Cc1c(c(c([nH]1)C(OC(C)(C)C)=O)CCC(=O)OC)C)OCC2)[H])(C)[H])=O
SPLASH splash10-0036-0591000000-9e0c7a86e5dc2f3350bf
Source of Spectrum H-72-527-14
Synonyms 2H-Furo[2,3-b]pyrrole, 1H-pyrrole-3-propanoic acid deriv. (2RS,3SR,4SR)-9-(t-butoxycarbonyl)-4,3-(epoxyethano)-2,3,4,5-tetrahydro-8-[2-(methoxycarbonyl}ethyl]-2,7-dimethyldipyrrin-1(10H)-one tert-Butyl 5-{[(3aR,4S,6aR)-4-methyl-5-oxohexahydro-6aH-furo[2,3-b]pyrrol-6a-yl]methyl}-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1377933