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PIPERENOL-B;(+)-(1S,2S,3R,4R)-1-BENZOYLOXYMETHYL-CYCLOHEX-5-ENE-1,2,3,4-TETROL-4-BENZOATE
SpectraBase Compound ID KnJcSu8zdEe
InChI InChI=1S/C21H20O7/c22-17-16(28-20(25)15-9-5-2-6-10-15)11-12-21(26,18(17)23)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2/t16-,17-,18+,21+/m1/s1
InChIKey PCFGXGDGOLIQTE-WIRSXHRWSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3OTuQspMIaB
Name PIPERENOL-B;(+)-(1S,2S,3R,4R)-1-BENZOYLOXYMETHYL-CYCLOHEX-5-ENE-1,2,3,4-TETROL-4-BENZOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c22-17-16(28-20(25)15-9-5-2-6-10-15)11-12-21(26,18(17)23)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2/t16-,17-,18+,21+/m1/s1
InChIKey PCFGXGDGOLIQTE-WIRSXHRWSA-N
Literature Reference Author S.C.TANEJA,S.K.KOUL,P.PUSHPANGADAN,K.L.DHAR,W.M.DANIEWSKI,W. SCHILF
Literature Reference Citation PHYTOCHEM.,30,871(1991)
Literature Reference DOI 10.1016/0031-9422(91)85269-6
Molecular Weight 384.386 g/mol
Solvent ACETONE-D6
Source File Reference UWLU32390