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PSAMMOCININ_A1;22-DEOXY-15-OXOVARIABILIN
SpectraBase Compound ID DwzN95eaGUo
InChI InChI=1S/C25H32O4/c1-18(8-6-10-22-13-14-28-17-22)7-5-9-20(3)24(26)12-11-19(2)15-23-16-21(4)25(27)29-23/h8-9,13-17,19H,5-7,10-12H2,1-4H3/b18-8+,20-9+,23-15+/t19-/m0/s1
InChIKey BEQGJLVJAVYVFJ-SRLYXCOASA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Tt0kmUSu4
Name PSAMMOCININ_A1;22-DEOXY-15-OXOVARIABILIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-18(8-6-10-22-13-14-28-17-22)7-5-9-20(3)24(26)12-11-19(2)15-23-16-21(4)25(27)29-23/h8-9,13-17,19H,5-7,10-12H2,1-4H3/b18-8+,20-9+,23-15+/t19-/m0/s1
InChIKey BEQGJLVJAVYVFJ-SRLYXCOASA-N
Literature Reference Author K.CHOI,J.HONG,C.O.LEE,D.K.KIM,C.J.SIM,K.S.IM,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,67,1186(2004)
Literature Reference DOI 10.1021/np049922w
Molecular Weight 396.527 g/mol
Solvent CD3OD
Source File Reference UWMZ5582