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(3S,4S,1'S)-(+)-3-Acetoxy-4-(1'-hydroxy-1'-methoxycarbonyl)-1'-[(R)-.alpha.-methylbenzylaminomethyl]methyl)cyclopent-1-ene-1-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(3S,4S,1'S)-(+)-3-Acetoxy-4-(1'-hydroxy-1'-methoxycarbonyl)-1'-[(R)-.alpha.-methylbenzylaminomethyl]methyl)cyclopent-1-ene-1-carboxylic acid methyl ester
SpectraBase Compound ID Goka8ZgKakI
InChI InChI=1S/C21H27NO7/c1-13(15-8-6-5-7-9-15)22-12-21(26,20(25)28-4)17-10-16(19(24)27-3)11-18(17)29-14(2)23/h5-9,11,13,17-18,22,26H,10,12H2,1-4H3/t13?,17-,18+,21-/m1/s1
InChIKey VZZNCBNFXNBVMP-XCBITEGLSA-N
Mol Weight 405.45 g/mol
Molecular Formula C21H27NO7
Exact Mass 405.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83FMUZaNwkg
Name (3S,4S,1'S)-(+)-3-Acetoxy-4-(1'-hydroxy-1'-methoxycarbonyl)-1'-[(R)-.alpha.-methylbenzylaminomethyl]methyl)cyclopent-1-ene-1-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO7
InChI InChI=1S/C21H27NO7/c1-13(15-8-6-5-7-9-15)22-12-21(26,20(25)28-4)17-10-16(19(24)27-3)11-18(17)29-14(2)23/h5-9,11,13,17-18,22,26H,10,12H2,1-4H3/t13?,17-,18+,21-/m1/s1
InChIKey VZZNCBNFXNBVMP-XCBITEGLSA-N
Molecular Weight 405.447 g/mol
SMILES N(C[C@@]([C@]1([C@](C=C(C1)C(=O)OC)(OC(=O)C)[H])[H])(C(=O)OC)O)C(c1ccccc1)C
SPLASH splash10-053r-4819000000-8de266a8868f717d5e3c
Source of Spectrum QC-7-3471-9
Wiley ID 869567