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(4-S,5-S,10-R,20-R)-12,18-DIHYDROXYABIETA-8,11,13-TRIEN-20-ALDEHYDE_18,20-HEMIACETAL
SpectraBase Compound ID E04NOpbOAiL
InChI InChI=1S/C20H28O3/c1-12(2)14-9-13-5-6-17-19(3)7-4-8-20(17,18(22)23-11-19)15(13)10-16(14)21/h9-10,12,17-18,21-22H,4-8,11H2,1-3H3/t17-,18+,19+,20-/m0/s1
InChIKey QVGFDWPRYXYPGU-NMLBUPMWSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8HCZ4Im5XAG
Name (4-S,5-S,10-R,20-R)-12,18-DIHYDROXYABIETA-8,11,13-TRIEN-20-ALDEHYDE_18,20-HEMIACETAL
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12(2)14-9-13-5-6-17-19(3)7-4-8-20(17,18(22)23-11-19)15(13)10-16(14)21/h9-10,12,17-18,21-22H,4-8,11H2,1-3H3/t17-,18+,19+,20-/m0/s1
InChIKey QVGFDWPRYXYPGU-NMLBUPMWSA-N
Literature Reference Author S.LIN,Y.ZHANG,M.LIU,S.YANG,M.GAN,J.ZI,W.SONG,X.FAN,S.WANG,Y. LIU,Y.YANG,X.CHEN,Y.
Literature Reference Citation J.NAT.PROD.,73,1914(2010)
Literature Reference DOI 10.1021/np100583u
Molecular Weight 316.441 g/mol
Sample ID 37135
Solvent ACETONE-D6