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(-)-(4-S,5-S,10-R,20-R)-12,18-DIHYDROXYABIETA-8,11,13-TRIEN-20-ALDEHYDE-18,20-ETHYL_ACETAL
SpectraBase Compound ID FygmHHSJ7IG
InChI InChI=1S/C22H30O4/c1-5-25-20-22-8-6-7-21(4,12-26-20)19(22)11-18(24)15-9-14(13(2)3)17(23)10-16(15)22/h9-10,13,19-20,23H,5-8,11-12H2,1-4H3/t19-,20+,21+,22-/m0/s1
InChIKey AVCUMQCXLPRLSN-CBPXPLCBSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3RWAhhGx1Jd
Name (-)-(4-S,5-S,10-R,20-R)-12,18-DIHYDROXYABIETA-8,11,13-TRIEN-20-ALDEHYDE-18,20-ETHYL_ACETAL
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-5-25-20-22-8-6-7-21(4,12-26-20)19(22)11-18(24)15-9-14(13(2)3)17(23)10-16(15)22/h9-10,13,19-20,23H,5-8,11-12H2,1-4H3/t19-,20+,21+,22-/m0/s1
InChIKey AVCUMQCXLPRLSN-CBPXPLCBSA-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 358.478 g/mol
Sample ID 37140
Solvent ACETONE-D6