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Neocrotocembranal

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Neocrotocembranal
SpectraBase Compound ID B1jKHBRTJCi
InChI InChI=1S/C20H30O/c1-16(2)20-13-11-18(4)8-5-7-17(3)9-6-10-19(15-21)12-14-20/h7,10-11,13,15-16H,5-6,8-9,12,14H2,1-4H3/b17-7-,18-11-,19-10+,20-13+
InChIKey SQMACIRXDFOOLF-QHFPFPTISA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IjA0C0KpdAa
Name NEOCROTOCEMBRANAL
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O
InChI InChI=1S/C20H30O/c1-16(2)20-13-11-18(4)8-5-7-17(3)9-6-10-19(15-21)12-14-20/h7,10-11,13,15-16H,5-6,8-9,12,14H2,1-4H3/b17-7-,18-11-,19-10+,20-13+
InChIKey SQMACIRXDFOOLF-QHFPFPTISA-N
Literature Reference Author S.ROENGSUMRAN,P.SINGTOTHONG,K.PUDHOM,N.NGAMROCHANAVANICH,A.P ETSOM,C.CHAICHANTIPY
Literature Reference Citation J.NAT.PROD.,62,1163(1999)
Literature Reference DOI 10.1021/np9900268
Molecular Weight 286.458 g/mol
Solvent CDCl3
Source File Reference WANG1514