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AQUILARABIETIC_ACID_C;7-ALPHA,12-ALPHA,13-ALPHA-TRIHYDROXYABIET-8-(14)-EN-18-OIC_ACID_ACETONIDE
SpectraBase Compound ID 8jNJAO6dqQ
InChI InChI=1S/C23H36O5/c1-13(2)23-12-14-15(10-18(23)27-20(3,4)28-23)21(5)8-7-9-22(6,19(25)26)17(21)11-16(14)24/h12-13,15-18,24H,7-11H2,1-6H3,(H,25,26)/t15-,16+,17+,18-,21+,22-,23-/m0/s1
InChIKey XVQABXWHRIIOBL-RCSXUCNGSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITOlmbZm16G
Name AQUILARABIETIC_ACID_C;7-ALPHA,12-ALPHA,13-ALPHA-TRIHYDROXYABIET-8-(14)-EN-18-OIC_ACID_ACETONIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-13(2)23-12-14-15(10-18(23)27-20(3,4)28-23)21(5)8-7-9-22(6,19(25)26)17(21)11-16(14)24/h12-13,15-18,24H,7-11H2,1-6H3,(H,25,26)/t15-,16+,17+,18-,21+,22-,23-/m0/s1
InChIKey XVQABXWHRIIOBL-RCSXUCNGSA-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 392.536 g/mol
Sample ID 42154
Solvent CDCl3