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ATHROLIDE_D;1-S*,7-R*,10-(H)-R*-4-OXO-6-S*-[(Z)-2-METHYL-2-BUTENOYLOXY]-8-S*-(3-HYDROXY-3-METHYLPENTANOYLOXY)-PSEUDO
SpectraBase Compound ID 4r3hyWeCCvB
InChI InChI=1S/C26H34O8/c1-8-13(3)23(29)34-22-19-15(5)24(30)33-20(14(4)16-10-11-17(27)26(16,22)7)21(19)32-18(28)12-25(6,31)9-2/h8,10-11,14,16,19-22,31H,5,9,12H2,1-4,6-7H3/b13-8-/t14-,16-,19+,20+,21-,22+,25?,26-/m0/s1
InChIKey BQWLRUGJJOOTDC-ZCQGAYISSA-N
Mol Weight 474.6 g/mol
Molecular Formula C26H34O8
Exact Mass 474.225368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BMJeNfSclq
Name ATHROLIDE_D;1-S*,7-R*,10-(H)-R*-4-OXO-6-S*-[(Z)-2-METHYL-2-BUTENOYLOXY]-8-S*-(3-HYDROXY-3-METHYLPENTANOYLOXY)-PSEUDO
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34O8
InChI InChI=1S/C26H34O8/c1-8-13(3)23(29)34-22-19-15(5)24(30)33-20(14(4)16-10-11-17(27)26(16,22)7)21(19)32-18(28)12-25(6,31)9-2/h8,10-11,14,16,19-22,31H,5,9,12H2,1-4,6-7H3/b13-8-/t14-,16-,19+,20+,21-,22+,25?,26-/m0/s1
InChIKey BQWLRUGJJOOTDC-ZCQGAYISSA-N
Literature Reference Author E.PAN,A.P.GORKA,J.N.ALUMASA,C.SLEBODNICK,L.HARINANTENAINA,P. J.BRODIE,P.D.ROEPE,R
Literature Reference Citation J.NAT.PROD.,74,2174(2011)
Literature Reference DOI 10.1021/np200499d
Molecular Weight 474.551 g/mol
Sample ID 39414
Solvent CDCl3