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SWERTISIN;ROTAMERS-A
SpectraBase Compound ID D1ADIxTUHpX
InChI InChI=1S/2C22H22O10/c2*1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2*2-7,15,18,20-24,26-29H,8H2,1H3/t2*15-,18-,20+,21-,22+/m10/s1
InChIKey VLRLUDYYVWKLKC-DOXOCLKQSA-N
Mol Weight 892.82 g/mol
Molecular Formula C44H44O20
Exact Mass 892.242594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79z5TViY13i
Name SWERTISIN;ROTAMERS-B
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H44O20
InChI InChI=1S/2C22H22O10/c2*1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2*2-7,15,18,20-24,26-29H,8H2,1H3/t2*15-,18-,20+,21-,22+/m10/s1
InChIKey VLRLUDYYVWKLKC-DOXOCLKQSA-N
Literature Reference Author J.H.FRANK,Y.L.POWDER-GEORGE,R.S.RAMSEWAK,W.F.REYNOLDS
Literature Reference Citation MOLECULES,17,7914(2012)
Literature Reference DOI 10.3390/molecules17077914
Molecular Weight 892.821 g/mol
Sample ID 1019
Solvent DMSO-D6