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(2S,4S)-6,8-Dimethyl-7-hydroxy-4'-methoxy-4,2"-oxidoflavan-5-O-.beta.-D-6-(acetoxy)glucopyranoside
SpectraBase Compound ID EzIj6HIlRqT
InChI InChI=1S/C26H30O10/c1-11-20(28)12(2)24-19-17(9-16(33-23(11)19)14-5-7-15(31-4)8-6-14)34-25-22(30)21(29)18(10-32-13(3)27)35-26(25)36-24/h5-8,16-18,21-22,25-26,28-30H,9-10H2,1-4H3/t16-,17-,18?,21+,22?,25?,26-/m0/s1
InChIKey IFELYQDGJJZHIW-WNKKQTESSA-N
Mol Weight 502.52 g/mol
Molecular Formula C26H30O10
Exact Mass 502.183897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GN2HES6b6cl
Name (2S,4S)-6,8-Dimethyl-7-hydroxy-4'-methoxy-4,2"-oxidoflavan-5-O-.beta.-D-6-(acetoxy)glucopyranoside
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Formula C26H30O10
InChI InChI=1S/C26H30O10/c1-11-20(28)12(2)24-19-17(9-16(33-23(11)19)14-5-7-15(31-4)8-6-14)34-25-22(30)21(29)18(10-32-13(3)27)35-26(25)36-24/h5-8,16-18,21-22,25-26,28-30H,9-10H2,1-4H3/t16-,17-,18?,21+,22?,25?,26-/m0/s1
InChIKey IFELYQDGJJZHIW-WNKKQTESSA-N
Molecular Weight 502.516 g/mol
SMILES Oc1c(c2c3[C@@](OC4C([C@@](C(O[C@]4(O2)[H])COC(=O)C)(O)[H])O)(C[C@](Oc3c1C)(c1ccc(OC)cc1)[H])[H])C
SPLASH splash10-0002-0390000000-4cbd08876fea8c612d39
Source of Spectrum G4-69-268-1
Synonyms Abacopterin A
Wiley ID 1694299