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2-hydroxy-3-mercapto-2-methylol-butyric acid [(6Z,10Z)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester

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

2-hydroxy-3-mercapto-2-methylol-butyric acid [(6Z,10Z)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
SpectraBase Compound ID JqJRDVFbLW7
InChI InChI=1S/C20H28O7S/c1-10-5-14(22)6-11(2)8-16(17-12(3)18(23)26-15(17)7-10)27-19(24)20(25,9-21)13(4)28/h6-7,13-17,21-22,25,28H,3,5,8-9H2,1-2,4H3/b10-7-,11-6-/t13?,14?,15?,16?,17-,20?/m1/s1
InChIKey VLJMGJBBVNUYSJ-LXQMTTSMSA-N
Mol Weight 412.5 g/mol
Molecular Formula C20H28O7S
Exact Mass 412.155574 g/mol
Enantiomer InChIKey VLJMGJBBVNUYSJ-GNIOEYANSA-N

View Spectrum of 2-hydroxy-3-mercapto-2-methylol-butyric acid [(6Z,10Z)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester

MS (GC) Spectrum
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Source of Spectrum J-45-492-0

View Spectrum of 2-hydroxy-3-mercapto-2-methylol-butyric acid [(6Z,10Z)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
  • 2-Hydroxy-2-(hydroxymethyl)-3-mercapto-2,3,3a,4,5,9,11a-octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester of (3aR-(3aR*,4R*(2S*,3S*),6E,8S*,10E,11aR*))-butanoic acid
  • Em4-from florida state university
  • 2-Hydroxy-3-mercapto-2-methylol-butyric acid[(6Z,10Z)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]ester
  • 2-Hydroxy-2-(hydroxymethyl)-3-mercaptobutanoic acid [(6Z,10Z)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • [(6Z,10Z)-6,10-dimethyl-3-methylidene-8-oxidanyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)-2-oxidanyl-3-sulfanyl-butanoate
  • [(6Z,10Z)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-hydroxy-2-(hydroxymethyl)-3-sulfanyl-butanoate
  • [(6Z,10Z)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-hydroxy-2-(hydroxymethyl)-3-sulfanylbutanoate
  • 8-Hydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-hydroxy-2-(hydroxymethyl)-3-sulfanylbutanoate
  • NSC 321473
GERMACRA-1(10),4,11(13)-TRIEN-12,6-A-OLIDE,2-A-HYDROXY-8-B-(2',5'-DIHYDROXY-3'-MERCAPTO-2'-METHYLBUTANOYLOXY)
No Name
COTUNOLIDE,2-A-HYDROXY-8-B-(2',3',5'-TRIHYDROXYANGELOYLOXIDE)
EUPACHINILIDE-H;8-BETA-(2ï,3ï-DIHYDROXY-2ï-METHYLBUTANOXY)-2-ALPHA-HYDROXY-6-BETA-H,7-ALPHA-H-GERMARCA-1(10)-E,4-E,11(13)-TRIENE-6,12-OLIDE
SESQUITERPENE EM-ID
No Name
ZKDMWKFVIHFIKW-LXQMTTSMSA-N
COSTUNOLIDE,8-B-(2',5-EPOXY-3'-HYDROXYANGELOYLOXY)-2-A-HYDROXY
2A-HYDROXY-8B-3'-HYDROXY-2',5'-EPOXYANGELOYLOXYCOSTUNOLIDE
EUPATOLIDE,2-A-HYDROXY,8-(2R',3R'-EPOXYANGELATE)=MOLLISORIN-B-A
Title Journal or Book Year
A thiol-containing ester side chain in a sesquiterpene lactone from Eupatorium mikanioides. Absolute configuration of deacetyleupaserrin and its congeners The Journal of Organic Chemistry 1980
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