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(2S,4S)-6,8-Dimethyl-7-hydroxy-4'-methoxy-4,2"-oxidoflavan-5-O-.beta.-D-3-(acetoxy)glucopyranoside
SpectraBase Compound ID B2f0jQobMkg
InChI InChI=1S/C26H30O10/c1-11-20(29)12(2)23-19-17(9-16(33-22(11)19)14-5-7-15(31-4)8-6-14)34-25-24(32-13(3)28)21(30)18(10-27)35-26(25)36-23/h5-8,16-18,21,24-27,29-30H,9-10H2,1-4H3/t16-,17-,18?,21+,24?,25?,26-/m0/s1
InChIKey RILIBNNLUUUUJS-DHZOUVTKSA-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 7x08viPYhny
Name (2S,4S)-6,8-Dimethyl-7-hydroxy-4'-methoxy-4,2"-oxidoflavan-5-O-.beta.-D-3-(acetoxy)glucopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O10
InChI InChI=1S/C26H30O10/c1-11-20(29)12(2)23-19-17(9-16(33-22(11)19)14-5-7-15(31-4)8-6-14)34-25-24(32-13(3)28)21(30)18(10-27)35-26(25)36-23/h5-8,16-18,21,24-27,29-30H,9-10H2,1-4H3/t16-,17-,18?,21+,24?,25?,26-/m0/s1
InChIKey RILIBNNLUUUUJS-DHZOUVTKSA-N
Molecular Weight 502.516 g/mol
SMILES Oc1c(c2c3[C@@](OC4[C@@](OC(CO)[C@](C4OC(=O)C)(O)[H])(Oc3c1C)[H])(C[C@](O2)(c1ccc(OC)cc1)[H])[H])C
SPLASH splash10-0002-0390000000-5d273e29c14203cb6751
Source of Spectrum G4-69-268-2
Synonyms Abacopterin B
Wiley ID 1694298