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

*Links on SpectraBase are not permalinks.

[4-S-(4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-BETA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-4,4A,5,6,7A,7B-HEXAHYDRO-2H-1,7-DIOXACYCLOPENT-[CD]-INDENE

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

[4-S-(4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-BETA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-4,4A,5,6,7A,7B-HEXAHYDRO-2H-1,7-DIOXACYCLOPENT-[CD]-INDENE
SpectraBase Compound ID CTqzxUePstz
InChI InChI=1S/C16H20O8/c1-7(17)20-6-12-15(23-9(3)19)14-11(22-8(2)18)4-10-5-21-16(24-12)13(10)14/h4,11-16H,5-6H2,1-3H3/t11-,12+,13+,14-,15+,16-/m0/s1
InChIKey WVIKHIAKIFZUKH-FBRBKTQXSA-N
Mol Weight 340.33 g/mol
Molecular Formula C16H20O8
Exact Mass 340.115818 g/mol
Enantiomer InChIKey WVIKHIAKIFZUKH-HLZFJGBKSA-N

View Spectrum of [4-S-(4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-BETA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-4,4A,5,6,7A,7B-HEXAHYDRO-2H-1,7-DIOXACYCLOPENT-[CD]-INDENE

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-64-8309-9

View Spectrum of [4-S-(4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-BETA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-4,4A,5,6,7A,7B-HEXAHYDRO-2H-1,7-DIOXACYCLOPENT-[CD]-INDENE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
  • [4S-(4a.alpha.,5.beta.,6.alpha.,7a.alpha.,7b.alpha.)]-4,5-(Diacetoxy)-6-[(acetoxy)methyl]-4,4a,5,6,7a,7b-hexahydro-2H-1,7-dioxacyclopent[cd]indene
#15;[1-R-(1-ALPHA,3-ALPHA,4-BETA,4A-ALPHA,5-BETA,7A-ALPHA)]-4,5-DIACETOXY-3,7-[(DIACETOXY)-METHYL]-3,4,4A,5,7A-PENTAHYDRO-1-METHOXY-CYCLOPENTA-[C]-PYRAN
GRACILIN-D
GRACILIN_K
(1S,3S,4R)-PARA-MENTHANE-3-YL-2,6-DI-O-(BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE-DECAACETATE
TRIETHYLAMMONIUM-3,4,6-TRI-O-ACETYL-2-O-(2,3,4,6-TETRA-O-BENZOYL-alpha-D-MANNOPYRANOSYL-alpha-D-MANNOPYRANOSYL-HYDROGENPHOSPHATE
MUMEOSE-F;3',4',6'-TRI-O-ACETYL-3-O-(E)-PARA-COUMAROYL-SUCROSE
6-EPI-PAEDEROSIDIC-ACID
3-O-ACETYL-2-O-(3,4,6-TRI-O-ACETYL-2-N-ALLYLOXYCARBONYLAMINO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-1,6-ANHYDRO-BETA-D-MANNOPYRANOSE
KHAINAOSIDE_B;7-O-E-FERULOYL-8-EPILOGANIC_ACID
7-O-Z-FERULOYLLOGANIC-ACID
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
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.