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ATHROLIDE_B;(1-S,2-S,4-R,5-R,6-R,7-S,8-S,10-R)-2-(2-METHYLPROPANOYLOXY)-4-ACETOXY-6-HYDROXYGUAI-11-(13)-EN-8,12-OLIDE
SpectraBase Compound ID 5PVddpPedWE
InChI InChI=1S/C21H30O7/c1-9(2)19(24)28-14-8-15(26-12(5)22)21(6)17(14)10(3)7-13-16(18(21)23)11(4)20(25)27-13/h9-10,13-18,23H,4,7-8H2,1-3,5-6H3/t10-,13+,14+,15-,16?,17-,18-,21-/m1/s1
InChIKey BHEXSLGHYNIAGL-JOBQQVJMSA-N
Mol Weight 394.46 g/mol
Molecular Formula C21H30O7
Exact Mass 394.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZmt3IKugNj
Name ATHROLIDE_B;(1-S,2-S,4-R,5-R,6-R,7-S,8-S,10-R)-2-(2-METHYLPROPANOYLOXY)-4-ACETOXY-6-HYDROXYGUAI-11-(13)-EN-8,12-OLIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O7
InChI InChI=1S/C21H30O7/c1-9(2)19(24)28-14-8-15(26-12(5)22)21(6)17(14)10(3)7-13-16(18(21)23)11(4)20(25)27-13/h9-10,13-18,23H,4,7-8H2,1-3,5-6H3/t10-,13+,14+,15-,16?,17-,18-,21-/m1/s1
InChIKey BHEXSLGHYNIAGL-JOBQQVJMSA-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 394.465 g/mol
Sample ID 39412
Solvent CDCl3