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acetic acid [(E)-3-[(1S,2R,4aR,5R,8R,8aS)-8-acetoxy-5-bromo-2-isopropyl-4a,8-dimethyl-decalin-1-yl]oxy-3-keto-1-methyl-prop-1-enyl] ester

View entire compound with spectra: 1 NMR

acetic acid [(E)-3-[(1S,2R,4aR,5R,8R,8aS)-8-acetoxy-5-bromo-2-isopropyl-4a,8-dimethyl-decalin-1-yl]oxy-3-keto-1-methyl-prop-1-enyl] ester
SpectraBase Compound ID GpltYRaMGkJ
InChI InChI=1S/C23H35BrO6/c1-13(2)17-8-10-22(6)18(24)9-11-23(7,30-16(5)26)21(22)20(17)29-19(27)12-14(3)28-15(4)25/h12-13,17-18,20-21H,8-11H2,1-7H3/b14-12+/t17-,18-,20+,21-,22+,23-/m1/s1
InChIKey NLTVDQSIYVXUNS-VVNLJPCTSA-N
Mol Weight 487.4 g/mol
Molecular Formula C23H35BrO6
Exact Mass 486.161702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88C06ba9lzd
Name acetic acid [(E)-3-[(1S,2R,4aR,5R,8R,8aS)-8-acetoxy-5-bromo-2-isopropyl-4a,8-dimethyl-decalin-1-yl]oxy-3-keto-1-methyl-prop-1-enyl] ester
CAS Registry Number 82740-46-3
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H35BrO6
InChI InChI=1S/C23H35BrO6/c1-13(2)17-8-10-22(6)18(24)9-11-23(7,30-16(5)26)21(22)20(17)29-19(27)12-14(3)28-15(4)25/h12-13,17-18,20-21H,8-11H2,1-7H3/b14-12+/t17-,18-,20+,21-,22+,23-/m1/s1
InChIKey NLTVDQSIYVXUNS-VVNLJPCTSA-N
Literature Reference Author M.R.BRENNAN,K.L.ERICKSON
Literature Reference Citation J.ORG.CHEM.,47,3917(1982)
Literature Reference DOI 10.1021/jo00141a021
Molecular Weight 487.431 g/mol
Solvent CDCl3
Source File Reference UWCS11258