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MANDARONE-A;(5R,10S)-12-HYDROXY-8,11,13-ABIETATRIENE-3,7-DIONE
SpectraBase Compound ID KiM2qXLLfsD
InChI InChI=1S/C20H26O3/c1-11(2)12-8-13-14(9-15(12)21)20(5)7-6-18(23)19(3,4)17(20)10-16(13)22/h8-9,11,17,21H,6-7,10H2,1-5H3/t17-,20+/m0/s1
InChIKey VWUIHEHESVHLRX-FXAWDEMLSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeoTfJJDzhi
Name MANDARONE-A;(5R,10S)-12-HYDROXY-8,11,13-ABIETATRIENE-3,7-DIONE
CAS Registry Number 61494-73-3
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-11(2)12-8-13-14(9-15(12)21)20(5)7-6-18(23)19(3,4)17(20)10-16(13)22/h8-9,11,17,21H,6-7,10H2,1-5H3/t17-,20+/m0/s1
InChIKey VWUIHEHESVHLRX-FXAWDEMLSA-N
Literature Reference Author T.FAN,Z.MIN,G.SONG,M.IINUMA,T.TANAKA
Literature Reference Citation PHYTOCHEM.,51,1005(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00147-8
Molecular Weight 314.425 g/mol
Solvent DMSO-D6
Source File Reference UWVN984