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Rosiridin, 5ac derivative

View entire compound with spectra: 1 NMR, and 1 FTIR

Rosiridin, 5ac derivative
SpectraBase Compound ID FR9HbE1Ald9
InChI InChI=1S/C26H38O12/c1-14(2)9-10-21(34-17(5)28)15(3)11-12-32-26-25(37-20(8)31)24(36-19(7)30)23(35-18(6)29)22(38-26)13-33-16(4)27/h9,11,21-26H,10,12-13H2,1-8H3/b15-11+/t21-,22+,23+,24-,25+,26+/m0/s1
InChIKey DPZUHXLOXSLJRB-ZEYVAANLSA-N
Mol Weight 542.6 g/mol
Molecular Formula C26H38O12
Exact Mass 542.236327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hhvxzXbmln
Name Rosiridin, 5ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 542.236326652 u
Formula C26H38O12
InChI InChI=1S/C26H38O12/c1-14(2)9-10-21(34-17(5)28)15(3)11-12-32-26-25(37-20(8)31)24(36-19(7)30)23(35-18(6)29)22(38-26)13-33-16(4)27/h9,11,21-26H,10,12-13H2,1-8H3/b15-11+/t21-,22+,23+,24-,25+,26+/m0/s1
InChIKey DPZUHXLOXSLJRB-ZEYVAANLSA-N
Molecular Weight 542.578 g/mol
SMILES C(OC(=O)C)[C@@]1([C@@](OC(=O)C)([C@](OC(=O)C)([C@@](OC(=O)C)([C@@](O1)(OC\C=C/(C)[C@@](OC(C)=O)(CC=C(C)C)[H])[H])[H])[H])[H])[H]