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(2S,3R,4R)-4-Benzyloxycarbonylmethyl-3-(4-methoxyphenyl)-5-oxopyrrolodine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3R,4R)-4-Benzyloxycarbonylmethyl-3-(4-methoxyphenyl)-5-oxopyrrolodine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
SpectraBase Compound ID GWJS3mjBUqn
InChI InChI=1S/C27H31NO8/c1-27(2,3)36-26(32)28-23(25(31)34-5)22(18-11-13-19(33-4)14-12-18)20(24(28)30)15-21(29)35-16-17-9-7-6-8-10-17/h6-14,20,22-23H,15-16H2,1-5H3/t20-,22-,23-/m0/s1
InChIKey RTIWBZWIWOMSGM-PMVMPFDFSA-N
Mol Weight 497.54 g/mol
Molecular Formula C27H31NO8
Exact Mass 497.204967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtTGBL0MJmP
Name (2S,3R,4R)-4-Benzyloxycarbonylmethyl-3-(4-methoxyphenyl)-5-oxopyrrolodine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO8
InChI InChI=1S/C27H31NO8/c1-27(2,3)36-26(32)28-23(25(31)34-5)22(18-11-13-19(33-4)14-12-18)20(24(28)30)15-21(29)35-16-17-9-7-6-8-10-17/h6-14,20,22-23H,15-16H2,1-5H3/t20-,22-,23-/m0/s1
InChIKey RTIWBZWIWOMSGM-PMVMPFDFSA-N
Molecular Weight 497.544 g/mol
SMILES C1(N([C@@]([C@]([C@@]1(CC(=O)OCc1ccccc1)[H])(c1ccc(cc1)OC)[H])(C(=O)OC)[H])C(OC(C)(C)C)=O)=O
SPLASH splash10-0002-0009600000-5a4f68e3d1a94c26db38
Source of Spectrum KC-61-4975-9
Wiley ID 1629228