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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

View entire compound with spectra: 1 NMR

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-
InChIKey VLJMGJBBVNUYSJ-LXQMTTSMSA-N
Mol Weight 412.5 g/mol
Molecular Formula C20H28O7S
Exact Mass 412.155574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5UE6iiBpSm
Name 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
CAS Registry Number 72229-36-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O7S
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-
InChIKey VLJMGJBBVNUYSJ-LXQMTTSMSA-N
Literature Reference Author W.HERZ,N.KUMAR,J.F.BLOUNT
Literature Reference Citation J.ORG.CHEM.,45,489(1980)
Literature Reference DOI 10.1021/jo01291a023
Molecular Weight 412.498 g/mol
Solvent DMSO-D6
Source File Reference UNIW20737