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#1;10-ISOVALEROYL-DIHYDRO-PENSTEMIDE;[1S-(1-ALPHA,4A-ALPHA,7-ALPHA,7A-ALPHA)]-1,4A,5,6,7,7A-HEXAHYDRO-7-(3-METHYL-1-OXOBUTOXY)-METHYL-1-(3-METHYL-1-OXOBUTOXY)-
SpectraBase Compound ID 2G4buiuKJ4c
InChI InChI=1S/C26H42O11/c1-13(2)7-19(28)33-10-15-5-6-17-16(11-34-25(21(15)17)37-20(29)8-14(3)4)12-35-26-24(32)23(31)22(30)18(9-27)36-26/h11,13-15,17-18,21-27,30-32H,5-10,12H2,1-4H3/t15-,17-,18+,21-,22+,23-,24+,25+,26+/m1/s1
InChIKey NLHCZHLBVPCBRD-CNBJANQRSA-N
Mol Weight 530.6 g/mol
Molecular Formula C26H42O11
Exact Mass 530.272712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LcZlytQnNZP
Name #1;10-ISOVALEROYL-DIHYDRO-PENSTEMIDE;[1S-(1-ALPHA,4A-ALPHA,7-ALPHA,7A-ALPHA)]-1,4A,5,6,7,7A-HEXAHYDRO-7-(3-METHYL-1-OXOBUTOXY)-METHYL-1-(3-METHYL-1-OXOBUTOXY)-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H42O11
InChI InChI=1S/C26H42O11/c1-13(2)7-19(28)33-10-15-5-6-17-16(11-34-25(21(15)17)37-20(29)8-14(3)4)12-35-26-24(32)23(31)22(30)18(9-27)36-26/h11,13-15,17-18,21-27,30-32H,5-10,12H2,1-4H3/t15-,17-,18+,21-,22+,23-,24+,25+,26+/m1/s1
InChIKey NLHCZHLBVPCBRD-CNBJANQRSA-N
Literature Reference Author S.M.ZAJDEL,K.GRAIKOU,K.GLOWNIAK,I.CHINOU
Literature Reference Citation FITOTERAPIA,83,373(2012)
Literature Reference DOI 10.1016/j.fitote.2011.11.021
Molecular Weight 530.613 g/mol
Sample ID 71810
Solvent CD3OD