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7-BETA-HYDROXY-ABIETA-8-(14)-EN-OIC_ACID_9-ALPHA,13-ALPHA-ENDOPEROXIDE

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7-BETA-HYDROXY-ABIETA-8-(14)-EN-OIC_ACID_9-ALPHA,13-ALPHA-ENDOPEROXIDE
SpectraBase Compound ID HlEy4IItjgm
InChI InChI=1S/C20H30O5/c1-12(2)19-8-9-20(25-24-19)13(11-19)14(21)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h11-12,14-15,21H,5-10H2,1-4H3,(H,22,23)/t14-,15-,17+,18-,19-,20+/m0/s1
InChIKey NVIRVAAOVXZOTN-QKHQRUOFSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3U1tQI4xVsS
Name 7-BETA-HYDROXY-ABIETA-8-(14)-EN-OIC_ACID_9-ALPHA,13-ALPHA-ENDOPEROXIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-12(2)19-8-9-20(25-24-19)13(11-19)14(21)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h11-12,14-15,21H,5-10H2,1-4H3,(H,22,23)/t14-,15-,17+,18-,19-,20+/m0/s1
InChIKey NVIRVAAOVXZOTN-QKHQRUOFSA-N
Literature Reference Author G.DELGADO,E.SANCHEZ,J.HERNANDEZ,M.I.CHAVEZ,L.ALVAREZ,E.MARTI NEZ
Literature Reference Citation PHYTOCHEM.,31,3159(1992)
Literature Reference DOI 10.1016/0031-9422(92)83466-C
Molecular Weight 350.455 g/mol
Solvent CDCl3
Source File Reference UWMZ21453