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(2S,3S,4S)-4-[(2S,3R,4R,6R,8S,9S,11S)-2-[(1R)-1-[(2S,3S)-5-hydroperoxy-3,5-dimethyloxolan-2-yl]ethyl]-11-hydroxy-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylpentane-1,3-diol

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(2S,3S,4S)-4-[(2S,3R,4R,6R,8S,9S,11S)-2-[(1R)-1-[(2S,3S)-5-hydroperoxy-3,5-dimethyloxolan-2-yl]ethyl]-11-hydroxy-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylpentane-1,3-diol
SpectraBase Compound ID 61MVS8I3xEe
InChI InChI=1S/C26H48O9/c1-13-9-20(28)26(33-22(13)17(5)21(29)15(3)12-27)11-19(31-8)16(4)24(34-26)18(6)23-14(2)10-25(7,32-23)35-30/h13-24,27-30H,9-12H2,1-8H3/t13-,14-,15-,16+,17-,18+,19+,20-,21-,22-,23-,24-,25?,26+/m0/s1
InChIKey KQJXGWXLVYGCSI-VPJMPUOMSA-N
Mol Weight 504.7 g/mol
Molecular Formula C26H48O9
Exact Mass 504.329833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GU52Qu5ECAl
Name (2S,3S,4S)-4-[(2S,3R,4R,6R,8S,9S,11S)-2-[(1R)-1-[(2S,3S)-5-hydroperoxy-3,5-dimethyloxolan-2-yl]ethyl]-11-hydroxy-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylpentane-1,3-diol
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H48O9
InChI InChI=1S/C26H48O9/c1-13-9-20(28)26(33-22(13)17(5)21(29)15(3)12-27)11-19(31-8)16(4)24(34-26)18(6)23-14(2)10-25(7,32-23)35-30/h13-24,27-30H,9-12H2,1-8H3/t13-,14-,15-,16+,17-,18+,19+,20-,21-,22-,23-,24-,25?,26+/m0/s1
InChIKey KQJXGWXLVYGCSI-VPJMPUOMSA-N
Literature Reference Author J.NIGGEMANN,N.BEDORF,U.FLOERKE,H.STEINMETZ,K.GERTH,H.REICHEN BACH,G.HOEFLE
Literature Reference Citation EUR.J.ORG.CHEM.,5013(2005)
Molecular Weight 504.662 g/mol
Sample ID 42458
Solvent CD3OD