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Orobol - 8-C-.beta.-d-glucopyranoside

View entire compound with spectra: 1 MS (GC)

Orobol - 8-C-.beta.-d-glucopyranoside
SpectraBase Compound ID DWI4hqc2jtb
InChI InChI=1S/C21H20O11/c22-5-13-17(28)18(29)19(30)21(32-13)15-12(26)4-11(25)14-16(27)8(6-31-20(14)15)7-1-2-9(23)10(24)3-7/h1-4,6,13,17-19,21-26,28-30H,5H2/t13-,17-,18+,19-,21+/m1/s1
InChIKey FONGWVNORDOJFQ-FFYOZGDPSA-N
Mol Weight 448.38 g/mol
Molecular Formula C21H20O11
Exact Mass 448.100561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RmtUhJgKOj
Name Orobol - 8-C-.beta.-d-glucopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O11
InChI InChI=1S/C21H20O11/c22-5-13-17(28)18(29)19(30)21(32-13)15-12(26)4-11(25)14-16(27)8(6-31-20(14)15)7-1-2-9(23)10(24)3-7/h1-4,6,13,17-19,21-26,28-30H,5H2/t13-,17-,18+,19-,21+/m1/s1
InChIKey FONGWVNORDOJFQ-FFYOZGDPSA-N
Molecular Weight 448.380 g/mol
SMILES OC[C@]1(O[C@@](c2c3c(c(cc2O)O)C(C(=CO3)c2cc(O)c(cc2)O)=O)([C@@]([C@]([C@@]1(O)[H])(O)[H])(O)[H])[H])[H]
SPLASH splash10-0002-0093400000-c0435823d21028c422d7
Source of Spectrum X4-13-730-0
Wiley ID 1585147