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acetic acid [(E,1R,3S)-10-[(2R)-6-acetoxy-2,8-dimethyl-chroman-2-yl]-2-keto-3,7-dimethyl-1-(2-methylprop-1-enyl)dec-7-enyl] ester

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acetic acid [(E,1R,3S)-10-[(2R)-6-acetoxy-2,8-dimethyl-chroman-2-yl]-2-keto-3,7-dimethyl-1-(2-methylprop-1-enyl)dec-7-enyl] ester
SpectraBase Compound ID A2rByNKIiEv
InChI InChI=1S/C31H44O6/c1-20(2)17-28(36-25(7)33)29(34)22(4)13-9-11-21(3)12-10-15-31(8)16-14-26-19-27(35-24(6)32)18-23(5)30(26)37-31/h12,17-19,22,28H,9-11,13-16H2,1-8H3/b21-12+/t22-,28+,31+/m0/s1
InChIKey PLWQZAPJBLWTOC-WFUOILNOSA-N
Mol Weight 512.7 g/mol
Molecular Formula C31H44O6
Exact Mass 512.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GV2IMEiujW
Name acetic acid [(E,1R,3S)-10-[(2R)-6-acetoxy-2,8-dimethyl-chroman-2-yl]-2-keto-3,7-dimethyl-1-(2-methylprop-1-enyl)dec-7-enyl] ester
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44O6
InChI InChI=1S/C31H44O6/c1-20(2)17-28(36-25(7)33)29(34)22(4)13-9-11-21(3)12-10-15-31(8)16-14-26-19-27(35-24(6)32)18-23(5)30(26)37-31/h12,17-19,22,28H,9-11,13-16H2,1-8H3/b21-12+/t22-,28+,31+/m0/s1
InChIKey PLWQZAPJBLWTOC-WFUOILNOSA-N
Literature Reference Author M.IWASHIMA,N.TAKO,T.HAYAKAWA,T.MATSUNAGA,J.MORI,H.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,56,124(2008)
Literature Reference DOI 10.1248/cpb.56.124
Molecular Weight 512.687 g/mol
Sample ID 1239
Solvent CDCl3