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3-ACETYLONCHIDIONOL

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3-ACETYLONCHIDIONOL
SpectraBase Compound ID 60Wvb717zdh
InChI InChI=1S/C39H58O10/c1-15-29-19(5)32(42)23(9)37(46-29)26(12)39(44)27(13)38(47-31(41)17-18(3)4)25(11)36(49-39)24(10)35-22(8)33(43)21(7)34(48-35)20(6)30(16-2)45-28(14)40/h18,20,24-27,30,36,38,44H,15-17H2,1-14H3/t20-,24-,25+,26-,27-,30+,36-,38-,39+/m0/s1
InChIKey NXWCTUPJJSSSHW-RUAJLSGZSA-N
Mol Weight 686.9 g/mol
Molecular Formula C39H58O10
Exact Mass 686.402998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IIYjOkVnRhQ
Name 3-ACETYLONCHIDIONOL
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H58O10
InChI InChI=1S/C39H58O10/c1-15-29-19(5)32(42)23(9)37(46-29)26(12)39(44)27(13)38(47-31(41)17-18(3)4)25(11)36(49-39)24(10)35-22(8)33(43)21(7)34(48-35)20(6)30(16-2)45-28(14)40/h18,20,24-27,30,36,38,44H,15-17H2,1-14H3/t20-,24-,25+,26-,27-,30+,36-,38-,39+/m0/s1
InChIKey NXWCTUPJJSSSHW-RUAJLSGZSA-N
Literature Reference Author M.CARBONE,M.L.CIAVATTA,J.R.WANG,H.CIRILLO,V.MATHIEU,R.KISS,E .MOLLO,Y.W.GUO,M.GAV
Literature Reference Citation J.NAT.PROD.,76,2065(2013)
Literature Reference DOI 10.1021/np400483c
Molecular Weight 686.884 g/mol
Solvent CDCl3
Source File Reference UWMZ43411