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Pinusolide

View entire compound with spectra: 1 NMR

Pinusolide
SpectraBase Compound ID Cke0ejObPiy
InChI InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17+,20+,21-/m0/s1
InChIKey WTKBZJAWPZXKJU-NLEAXPPASA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID VY7aduldrp
Name PINUSOLIDE
CAS Registry Number 31685-80-0
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17+,20+,21-/m0/s1
InChIKey WTKBZJAWPZXKJU-NLEAXPPASA-N
Literature Reference Author J.ZAUGG,S.KHOM,D.EIGENMANN,I.BABURIN,M.HAMBURGER,S.HERING
Literature Reference Citation J.NAT.PROD.,74,1764(2011)
Literature Reference DOI 10.1021/np200317p
Molecular Weight 346.467 g/mol
Sample ID 39115
Solvent CDCl3