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#16;[2A-S-(3-ALPHA,4-BETA,4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-ALPHA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-3,4,4A,5,6,7A,7B-HEPTAHYDRO-2A,3-OXIRENO-2H-1,7-DIOXA

Compound with spectra: 1 NMR, and 1 MS (GC)

#16;[2A-S-(3-ALPHA,4-BETA,4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-ALPHA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-3,4,4A,5,6,7A,7B-HEPTAHYDRO-2A,3-OXIRENO-2H-1,7-DIOXA
SpectraBase Compound ID 7xEOO6tr16X
InChI InChI=1S/C16H20O9/c1-6(17)20-4-9-12(22-7(2)18)10-11-15(24-9)21-5-16(11)14(25-16)13(10)23-8(3)19/h9-15H,4-5H2,1-3H3/t9-,10+,11-,12-,13-,14+,15+,16-/m1/s1
InChIKey JDQRAIAJAHTBJX-VWSCZXQKSA-N
Mol Weight 356.33 g/mol
Molecular Formula C16H20O9
Exact Mass 356.110732 g/mol
Enantiomer InChIKey JDQRAIAJAHTBJX-JJZOZOEJSA-N

View Spectrum of #16;[2A-S-(3-ALPHA,4-BETA,4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-ALPHA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-3,4,4A,5,6,7A,7B-HEPTAHYDRO-2A,3-OXIRENO-2H-1,7-DIOXA

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-64-8309-16

View Spectrum of #16;[2A-S-(3-ALPHA,4-BETA,4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-ALPHA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-3,4,4A,5,6,7A,7B-HEPTAHYDRO-2A,3-OXIRENO-2H-1,7-DIOXA

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • [2aS-(3.alpha.,4.beta.,4a.alpha.,5.beta.,7a.alpha.,7b.alpha.)]-4,5-(Diacetoxy)-6-[(acetoxy)methyl]-3,4,4a,5,6,7a,7b-heptahydro-2a,3-oxireno-2H-1,7dioxacyclopenta[cd]indene
ULZWZCJGSQXSPD-WVIPUABKSA-N
QMEMFFGOYCIEJZ-KWLHOQJISA-N
REL-(7R,8S,1'R,3'R,4'R,5'S,6'R)-DELTA-(8')-4',5',6'-TRIHYDROXY-3,4,3'-TRIMETHOXY-8.1',7.O.6'-NEOLIGNAN
REL-(7R,8S,1'R,3'R,4'S,5'S,6'R)-DELTA-(8')-4',5',6'-TRIHYDROXY-3,4,3'-TRIMETHOXY-8.1',7.O.6'-NEOLIGNAN
6'-O-PARA-HYDROXYBENZOYL-CATALPOSIDE
#9;[1R-(1-ALPHA,4A-BETA,10A-ALPHA)]-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-1-PHENANTHRENMETHYL-PERACETYL-(O-BETA-D-GLUCOPYRANOSIDE)
[1R-( 1.alpha.,4a.beta.,10a.alpha.)]-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1'-methylethyl)-1-phenanthrenemethyl-peracetyl-( O-.beta.-D-glucopyranoside)
6.alpha.-L-Rhamnopyranosyl-catalpol
Verbascoside A - Hydrolyzed Cpd.
LGOZEEJUMRRAEC-JEBSDAADSA-N
Title Journal or Book Year
Iridoids from Carbohydrates via Pauson−Khand Reaction:  Synthesis of Advanced Highly Oxygenated Cyclopentane-Annulated Pyranosides from d-Glucal Derivatives The Journal of Organic Chemistry 1999
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