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(1S,2R,3S,4R,1'R)-(+)-2,3-Isopropylidenedioxy-4-(1'-hydroxy-1'-methoxycarbonylmethyl-1'-[(R)-.alpha.-methylbenzylaminomethyl])cyclopentane-1-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1S,2R,3S,4R,1'R)-(+)-2,3-Isopropylidenedioxy-4-(1'-hydroxy-1'-methoxycarbonylmethyl-1'-[(R)-.alpha.-methylbenzylaminomethyl])cyclopentane-1-carboxylic acid methyl ester
SpectraBase Compound ID 8oA1PJv9ILg
InChI InChI=1S/C22H31NO7/c1-21(2)29-18-15(20(25)28-4)10-16(19(18)30-21)22(26,11-17(24)27-3)13-23-12-14-8-6-5-7-9-14/h5-9,15-16,18-19,23,26H,10-13H2,1-4H3/t15-,16+,18+,19-,22-/m0/s1
InChIKey ZHWPBUPGCRVIRF-HMDKJMFNSA-N
Mol Weight 421.49 g/mol
Molecular Formula C22H31NO7
Exact Mass 421.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzY41NkNtjI
Name (1S,2R,3S,4R,1'R)-(+)-2,3-Isopropylidenedioxy-4-(1'-hydroxy-1'-methoxycarbonylmethyl-1'-[(R)-.alpha.-methylbenzylaminomethyl])cyclopentane-1-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO7
InChI InChI=1S/C22H31NO7/c1-21(2)29-18-15(20(25)28-4)10-16(19(18)30-21)22(26,11-17(24)27-3)13-23-12-14-8-6-5-7-9-14/h5-9,15-16,18-19,23,26H,10-13H2,1-4H3/t15-,16+,18+,19-,22-/m0/s1
InChIKey ZHWPBUPGCRVIRF-HMDKJMFNSA-N
Molecular Weight 421.490 g/mol
SMILES O[C@@](CNCc1ccccc1)([C@]1([C@]2([C@@]([C@](C1)(C(=O)OC)[H])(OC(C)(C)O2)[H])[H])[H])CC(=O)OC
SPLASH splash10-0a59-0900000000-efa74a47f3a7099ca6cf
Source of Spectrum F-51-11852-26
Wiley ID 793888