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(+)-(5-S,7-R)-7-ETHOXY-12-HYDROXY-2-OXO-20-NORABIETA-1-(10),8,11,13-TETRAENE
SpectraBase Compound ID 4kCPsxWZlAR
InChI InChI=1S/C21H28O3/c1-6-24-20-10-18-16(7-13(22)11-21(18,4)5)15-9-19(23)14(12(2)3)8-17(15)20/h7-9,12,18,20,23H,6,10-11H2,1-5H3/t18-,20-/m1/s1
InChIKey PBWYWMUNSHLHRZ-UYAOXDASSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQCnLrPcbA1
Name (+)-(5-S,7-R)-7-ETHOXY-12-HYDROXY-2-OXO-20-NORABIETA-1-(10),8,11,13-TETRAENE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-6-24-20-10-18-16(7-13(22)11-21(18,4)5)15-9-19(23)14(12(2)3)8-17(15)20/h7-9,12,18,20,23H,6,10-11H2,1-5H3/t18-,20-/m1/s1
InChIKey PBWYWMUNSHLHRZ-UYAOXDASSA-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 328.452 g/mol
Sample ID 37147
Solvent ACETONE-D6