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1-OXO-2-BETA,9-ALPHA-DIHYDROXY-13-EPI-ENT-PIMARA-11,15-DIEN-19-OIC_ACID
SpectraBase Compound ID LAIa9g6m75h
InChI InChI=1S/C20H28O5/c1-5-17(2)8-9-20(25)12(10-17)6-7-14-18(3,16(23)24)11-13(21)15(22)19(14,20)4/h5,8-9,12-14,21,25H,1,6-7,10-11H2,2-4H3,(H,23,24)/t12-,13-,14-,17-,18-,19+,20-/m1/s1
InChIKey ZAQROLXINBYFIL-FSQOVGCKSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1Z6xCAQETp
Name 1-OXO-2-BETA,9-ALPHA-DIHYDROXY-13-EPI-ENT-PIMARA-11,15-DIEN-19-OIC_ACID
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-5-17(2)8-9-20(25)12(10-17)6-7-14-18(3,16(23)24)11-13(21)15(22)19(14,20)4/h5,8-9,12-14,21,25H,1,6-7,10-11H2,2-4H3,(H,23,24)/t12-,13-,14-,17-,18-,19+,20-/m1/s1
InChIKey ZAQROLXINBYFIL-FSQOVGCKSA-N
Literature Reference Author B.M.FRAGA,R.GUILLERMO,M.G.HERNANDEZ,M.C.CHAMY,J.A.GARBARINO
Literature Reference Citation J.NAT.PROD.,72,87(2009)
Literature Reference DOI 10.1021/np800647v
Molecular Weight 348.439 g/mol
Sample ID 31345
Solvent CDCl3