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AQUILARABIETIC_ACID_G;7-ALPHA,12-BETA,13-BETA-TRIHYDROXYABIET-8-(14)-EN-18-OIC_ACID
SpectraBase Compound ID 4Csu2JRrsXA
InChI InChI=1S/C20H32O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13-16,21-22,25H,5-9H2,1-4H3,(H,23,24)/t13-,14+,15+,16+,18+,19-,20+/m0/s1
InChIKey WGJYYARKNLFWSA-FLKKRPIISA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O5
Exact Mass 352.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6M3sq6oLkw5
Name AQUILARABIETIC_ACID_G;7-ALPHA,12-BETA,13-BETA-TRIHYDROXYABIET-8-(14)-EN-18-OIC_ACID
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13-16,21-22,25H,5-9H2,1-4H3,(H,23,24)/t13-,14+,15+,16+,18+,19-,20+/m0/s1
InChIKey WGJYYARKNLFWSA-FLKKRPIISA-N
Literature Reference Author L.YANG,L.QIAO,C.JI,D.XIE,N.B.GONG,Y.LU,J.ZHANG,J.DAI,S.GUO
Literature Reference Citation J.NAT.PROD.,76,216(2013)
Literature Reference DOI 10.1021/np3006925
Molecular Weight 352.471 g/mol
Sample ID 42158
Solvent CD3OD