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(1R,4R,5R,9S,11R)-4,5-EPOXYCARYOPHYLL-8(14)-EN-12-OIC_ACID
SpectraBase Compound ID 6wnHeJI6RJF
InChI InChI=1S/C15H22O3/c1-9-4-5-12-15(3,18-12)7-6-11-10(9)8-14(11,2)13(16)17/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,14-,15-/m1/s1
InChIKey FQFXKSTXOZAVQJ-URFZWBKFSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGqRynGIVzx
Name (1R,4R,5R,9S,11R)-4,5-EPOXYCARYOPHYLL-8(14)-EN-12-OIC_ACID
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9-4-5-12-15(3,18-12)7-6-11-10(9)8-14(11,2)13(16)17/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,14-,15-/m1/s1
InChIKey FQFXKSTXOZAVQJ-URFZWBKFSA-N
Literature Reference Author A.F.AHMED,J.H.SU,R.T.SHIUE,X.J.PAN,C.F.DAI,Y.H.KUO,J.H.SHEU
Literature Reference Citation J.NAT.PROD.,67,592(2004)
Literature Reference DOI 10.1021/np030286w
Molecular Weight 250.338 g/mol
Solvent CDCl3
Source File Reference UWMZ5623