John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=151RvAQ4Xyp SpectraBase Spectrum ID=IvUXGEmMSd

(accessed ).
(1R,3S,4S,5S,8S,11R)-1-ACETYLOXY-7-OXOQUIROG-9-ENE
SpectraBase Compound ID 151RvAQ4Xyp
InChI InChI=1S/C17H24O3/c1-8-6-11-13-9(2)7-12(20-10(3)18)14(8)15(13)17(4,5)16(11)19/h6,9,11-15H,7H2,1-5H3/t9-,11+,12+,13-,14+,15+/m0/s1
InChIKey AIAUOEWPAORIKU-MMKLUXSESA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvUXGEmMSd
Name (1R,3S,4S,5S,8S,11R)-1-ACETYLOXY-7-OXOQUIROG-9-ENE
Compound Number 7
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-8-6-11-13-9(2)7-12(20-10(3)18)14(8)15(13)17(4,5)16(11)19/h6,9,11-15H,7H2,1-5H3/t9-,11+,12+,13-,14+,15+/m0/s1
InChIKey AIAUOEWPAORIKU-MMKLUXSESA-N
Literature Reference Author M.MELENDEZ-RODRIGUEZ,C.M.CERDA-GARCIA-ROJAS,P.JOSEPH-NATHAN
Literature Reference Citation J.NAT.PROD.,65,1398(2002)
Literature Reference DOI 10.1021/np020158s
Molecular Weight 276.376 g/mol
Solvent CDCl3
Source File Reference UWBS1593
SpectraBase Batch ID HZQX0deKdxa