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(2E,4E,6R)-N-[(1S,2R,3'S,6R)-4-chloro-2',5-diketo-spiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-tetrahydrofuran]-3'-yl]-4,6-dimethyl-dodeca-2,4-dienamide

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

(2E,4E,6R)-N-[(1S,2R,3'S,6R)-4-chloro-2',5-diketo-spiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-tetrahydrofuran]-3'-yl]-4,6-dimethyl-dodeca-2,4-dienamide
SpectraBase Compound ID Hs9t39jbsau
InChI InChI=1S/C23H30ClNO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(26)25-17-13-23(30-22(17)28)12-16(24)19(27)20-21(23)29-20/h9-12,14,17,20-21H,4-8,13H2,1-3H3,(H,25,26)/b10-9+,15-11+/t14-,17+,20+,21+,23+/m1/s1
InChIKey STFIAQFXXYNSRI-NMNGRGADSA-N
Mol Weight 435.95 g/mol
Molecular Formula C23H30ClNO5
Exact Mass 435.181251 g/mol
Enantiomer InChIKey STFIAQFXXYNSRI-IQLPTGOISA-N

View Spectrum of (2E,4E,6R)-N-[(1S,2R,3'S,6R)-4-chloro-2',5-diketo-spiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-tetrahydrofuran]-3'-yl]-4,6-dimethyl-dodeca-2,4-dienamide

MS (GC) Spectrum
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Source of Spectrum KC-0-3598-9

View Spectrum of (2E,4E,6R)-N-[(1S,2R,3'S,6R)-4-chloro-2',5-diketo-spiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-tetrahydrofuran]-3'-yl]-4,6-dimethyl-dodeca-2,4-dienamide

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 1,7-Dioxogymnastatin E
ARANOCHLOR-A
ARANOCHLOR-B
(3S,3(2'E,4'E,6'S),5S,6S,7R,8S,9S,10R)-3-[(4',6'-Dimethyl-2',4'-dodecadienoyl)amino]-6,7:9,10-diepoxy-8-hydroxy-8-(hydroxymethyl)-1-oxaspiro[4.5]deca-7,10-diene-2-one
(3S,3(2'E,4'E,6'R),5S,6S,7R,8S,9S,10R)-3-[(4',6'-Dimethyl-2',4'-dodecadienoyl)amino]-6,7:9,10-diepoxy-8-hydroxy-8-(hydroxymethyl)-1-oxaspiro[4.5]deca-7,10-diene-2-one
(E)-PENTACARBONYL-(N-2'-GLUCOSYL-1-AMINO-1-DEOXY-2,3:5,6-DI-O-ISOPROPYLIDENE-D-GULITOL-1-YLIDENE)-CHROMIUM-(0)
TIFRUTICIN,3-DEHYDRO-15-HYDROXY
1,2,3,4-tetracyano-5,10-dioxa-1a,1,2,3-tetrahydro-anthracene
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(octylamino)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-(amylamino)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
PILOSIDE-B;2-O-BETA-D-GLUCOPYRANOSYL-BENZYL-2,6-DIMETHOXY-3-O-BETA-D-GLUCOPYRANOSY-4-HYDROXY-BENZOATE
Title Journal or Book Year
Absolute stereostructures of novel cytotoxic metabolites, gymnastatins A–E, from a Gymnascella species separated from a Halichondria sponge Journal of the Chemical Society, Perkin Transactions 1 1998
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