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

*Links on SpectraBase are not permalinks.
BUPLEROL
SpectraBase Compound ID 2TXzAYH9b3W
InChI InChI=1S/C21H24O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-15(12-27-21(16)23)8-13-4-6-17(22)19(10-13)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m1/s1
InChIKey NWFYESYCEQICQP-CVEARBPZSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 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 LYw7WSsVJJd
Name (2S,3S)-2-(3'',4''-dimethoxybenzyl)-3-(3'-methoxy-4'-hydroxybenzyl)-.gamma.-butyrolactone
Appearance White amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-15(12-27-21(16)23)8-13-4-6-17(22)19(10-13)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m1/s1
InChIKey NWFYESYCEQICQP-CVEARBPZSA-N
Instrument Name HP5989A DIP
Ionization Type EI
Literature Reference DOI 10.1021/np040113m
Molecular Weight 372.417 g/mol
Optical Rotation [a]D = +25.71 (c = 0.33, CHCl3)
SMILES Oc1c(cc(C[C@@]2(COC([C@]2(Cc2cc(c(cc2)OC)OC)[H])=O)[H])cc1)OC
SPLASH splash10-0udr-0902000000-0dc33a8fe4f558fc4ff5
Source of Spectrum G4-67-1984-5a
Thin-Layer Chromatography Rf = 0.59 (CHCl3/MeOH, 9:1)
Wiley ID 1881605