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AQUILARABIETIC_ACID_A;7-ALPHA,9-ALPHA,13-ALPHA-TRIHYDROXYABIET-8-(14)-EN-18-OIC_ACID
SpectraBase Compound ID D6S5R74LIxg
InChI InChI=1S/C20H32O5/c1-12(2)19(24)8-9-20(25)13(11-19)14(21)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h11-12,14-15,21,24-25H,5-10H2,1-4H3,(H,22,23)/t14-,15+,17+,18+,19+,20-/m1/s1
InChIKey IKFPEPLBKUUDDK-PTADQYPYSA-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 C6SADpFrr1J
Name AQUILARABIETIC_ACID_A;7-ALPHA,9-ALPHA,13-ALPHA-TRIHYDROXYABIET-8-(14)-EN-18-OIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-12(2)19(24)8-9-20(25)13(11-19)14(21)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h11-12,14-15,21,24-25H,5-10H2,1-4H3,(H,22,23)/t14-,15+,17+,18+,19+,20-/m1/s1
InChIKey IKFPEPLBKUUDDK-PTADQYPYSA-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 42152
Solvent CD3OD