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SIPHONELLINOL_C_23_HYDROPEROXIDE

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SIPHONELLINOL_C_23_HYDROPEROXIDE
SpectraBase Compound ID C9fm2Xut42C
InChI InChI=1S/C30H52O6/c1-20-10-13-24(32)28(6,17-9-16-26(2,3)36-34)21(20)11-12-22-29(7)18-14-23(31)27(4,5)35-25(29)15-19-30(22,8)33/h9,16,22-25,31-34H,10-15,17-19H2,1-8H3/b16-9+/t22-,23-,24+,25-,28-,29-,30+/m0/s1
InChIKey KKUBOUCKYPCBMT-CDMQMTAESA-N
Mol Weight 508.7 g/mol
Molecular Formula C30H52O6
Exact Mass 508.376389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ekdu2GCa3Z
Name SIPHONELLINOL_C_23_HYDROPEROXIDE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H52O6
InChI InChI=1S/C30H52O6/c1-20-10-13-24(32)28(6,17-9-16-26(2,3)36-34)21(20)11-12-22-29(7)18-14-23(31)27(4,5)35-25(29)15-19-30(22,8)33/h9,16,22-25,31-34H,10-15,17-19H2,1-8H3/b16-9+/t22-,23-,24+,25-,28-,29-,30+/m0/s1
InChIKey KKUBOUCKYPCBMT-CDMQMTAESA-N
Literature Reference Author S.JAIN,I.ABRAHAM,P.CARVALHO,Y.H.KUANG,L.A.SHAALA,D.T.A.YOUSS EF,M.A.AVERY,Z.S.CHE
Literature Reference Citation J.NAT.PROD.,72,1291(2009)
Literature Reference DOI 10.1021/np900091y
Molecular Weight 508.739 g/mol
Sample ID 33205
Solvent CDCl3