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PHOMENTRIOLOXIN;(1-S,2-S,3-S,4-S)-3-METHOXY-6-(7-METHYL-3-METHYLENE-OCT-6-EN-1-YNYL)-CYCLOHEX-5-ENE-1,2,4-TRIOL
SpectraBase Compound ID tVL38MsR5I
InChI InChI=1S/C17H24O4/c1-11(2)6-5-7-12(3)8-9-13-10-14(18)17(21-4)16(20)15(13)19/h6,10,14-20H,3,5,7H2,1-2,4H3/t14-,15-,16-,17-/m0/s1
InChIKey QMURELAJMFSPEF-QAETUUGQSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AS5ykSW9Hyk
Name PHOMENTRIOLOXIN;(1-S,2-S,3-S,4-S)-3-METHOXY-6-(7-METHYL-3-METHYLENE-OCT-6-EN-1-YNYL)-CYCLOHEX-5-ENE-1,2,4-TRIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-11(2)6-5-7-12(3)8-9-13-10-14(18)17(21-4)16(20)15(13)19/h6,10,14-20H,3,5,7H2,1-2,4H3/t14-,15-,16-,17-/m0/s1
InChIKey QMURELAJMFSPEF-QAETUUGQSA-N
Literature Reference Author A.CIMMINO,A.ANDOLFI,M.C.ZONNO,C.TROISE,A.SANTINI,A.TUZI,M.VU RRO,G.ASH,A.EVIDENTE
Literature Reference Citation J.NAT.PROD.,75,1130(2012)
Literature Reference DOI 10.1021/np300200j
Molecular Weight 292.375 g/mol
Sample ID 41134
Solvent CDCl3