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ATHROLIDE_C;1-S*,7-R,10-(H)-R*-4-OXO-6-S*-[(Z)-2-METHYL-2-BUTENOYLOXY]-8-S*-(3-HYDROXY-3-METHYLBUTANOYLOXY)-PSEUDO
SpectraBase Compound ID CRM3qWPzMKR
InChI InChI=1S/C25H32O8/c1-8-12(2)22(28)33-21-18-14(4)23(29)32-19(20(18)31-17(27)11-24(5,6)30)13(3)15-9-10-16(26)25(15,21)7/h8-10,13,15,18-21,30H,4,11H2,1-3,5-7H3/b12-8-/t13-,15-,18+,19+,20-,21+,25-/m0/s1
InChIKey BJUHMHABNCTBSM-MIHIHRRSSA-N
Mol Weight 460.5 g/mol
Molecular Formula C25H32O8
Exact Mass 460.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2914bixDd3W
Name ATHROLIDE_C;1-S*,7-R,10-(H)-R*-4-OXO-6-S*-[(Z)-2-METHYL-2-BUTENOYLOXY]-8-S*-(3-HYDROXY-3-METHYLBUTANOYLOXY)-PSEUDO
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32O8
InChI InChI=1S/C25H32O8/c1-8-12(2)22(28)33-21-18-14(4)23(29)32-19(20(18)31-17(27)11-24(5,6)30)13(3)15-9-10-16(26)25(15,21)7/h8-10,13,15,18-21,30H,4,11H2,1-3,5-7H3/b12-8-/t13-,15-,18+,19+,20-,21+,25-/m0/s1
InChIKey BJUHMHABNCTBSM-MIHIHRRSSA-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 460.524 g/mol
Sample ID 39413
Solvent CDCl3