For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(3R,4S,1'S)-(+)-3-[1-Methoxycarbonyl-4-(1'-ethyl-1'-hydroxy-1'-methoxycarbonylmethyl)cyclopentane-1-enyl] (R)-O-acetylamandelate

View entire compound with spectra: 1 MS (GC)

(3R,4S,1'S)-(+)-3-[1-Methoxycarbonyl-4-(1'-ethyl-1'-hydroxy-1'-methoxycarbonylmethyl)cyclopentane-1-enyl] (R)-O-acetylamandelate
SpectraBase Compound ID BdjFrrvjGoH
InChI InChI=1S/C22H26O9/c1-5-22(27,21(26)29-4)16-11-15(19(24)28-3)12-17(16)31-20(25)18(30-13(2)23)14-9-7-6-8-10-14/h6-10,12,16-18,27H,5,11H2,1-4H3/t16-,17-,18+,22+/m0/s1
InChIKey JMORHFORSSCFGT-VDVULAQNSA-N
Mol Weight 434.44 g/mol
Molecular Formula C22H26O9
Exact Mass 434.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3bD41GprxQ
Name (3R,4S,1'S)-(+)-3-[1-Methoxycarbonyl-4-(1'-ethyl-1'-hydroxy-1'-methoxycarbonylmethyl)cyclopentane-1-enyl] (R)-O-acetylamandelate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O9
InChI InChI=1S/C22H26O9/c1-5-22(27,21(26)29-4)16-11-15(19(24)28-3)12-17(16)31-20(25)18(30-13(2)23)14-9-7-6-8-10-14/h6-10,12,16-18,27H,5,11H2,1-4H3/t16-,17-,18+,22+/m0/s1
InChIKey JMORHFORSSCFGT-VDVULAQNSA-N
Molecular Weight 434.441 g/mol
SMILES O[C@]([C@@]1([C@](C=C(C1)C(=O)OC)(OC([C@](OC(=O)C)(c1ccccc1)[H])=O)[H])[H])(C(=O)OC)CC
SPLASH splash10-0a6u-9700000000-522ec9bfb6fa9f4ea51f
Source of Spectrum F-51-11852-25
Wiley ID 793890