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GUANACASTEPENE;MAJOR-ISOMER
SpectraBase Compound ID GfhxWG1ecJk
InChI InChI=1S/C22H30O5/c1-12(2)18-20(27-13(3)24)19(26)16-10-15-14(11-23)17(25)6-7-21(15,4)8-9-22(16,18)5/h10-12,17-18,20,25H,6-9H2,1-5H3/t17-,18-,20+,21-,22-/m1/s1
InChIKey KCPNSIPCHJTGHJ-VBCWZRPASA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RittdVuQZF
Name GUANACASTEPENE;MINOR-ISOMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-12(2)18-20(27-13(3)24)19(26)16-10-15-14(11-23)17(25)6-7-21(15,4)8-9-22(16,18)5/h10-12,17-18,20,25H,6-9H2,1-5H3/t17-,18-,20+,21-,22-/m1/s1
InChIKey KCPNSIPCHJTGHJ-VBCWZRPASA-N
Literature Reference Author S.F.BRADY,M.P.SINGH,J.E.JANSO,J.CLARDY
Literature Reference Citation J.AM.CHEM.SOC.,122,2116(2000)
Literature Reference DOI 10.1021/ja993835m
Molecular Weight 374.477 g/mol
Solvent ACETONE-D6
Source File Reference UWSI2014