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(2S,3S)-(+)-5'-Methoxyyatein
SpectraBase Compound ID 7cLOeFXeNWF
InChI InChI=1S/C23H26O8/c1-25-17-8-14(9-18(26-2)21(17)28-4)6-16-15(11-29-23(16)24)5-13-7-19(27-3)22-20(10-13)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3/t15-,16+/m1/s1
InChIKey AIIBKXWZZGYRAR-CVEARBPZSA-N
Mol Weight 430.45 g/mol
Molecular Formula C23H26O8
Exact Mass 430.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yeX9d69P6I
Name (2S,3S)-(+)-5'-Methoxyyatein
Appearance Pale yellow gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O8
InChI InChI=1S/C23H26O8/c1-25-17-8-14(9-18(26-2)21(17)28-4)6-16-15(11-29-23(16)24)5-13-7-19(27-3)22-20(10-13)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3/t15-,16+/m1/s1
InChIKey AIIBKXWZZGYRAR-CVEARBPZSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np030247k
Molecular Weight 430.453 g/mol
Optical Rotation [a]D25 = +24.8 (c = 0.393, CHCl3)
Reported Formula C23H26O8
SMILES c12OCOc2c(OC)cc(C[C@]2([C@](Cc3cc(OC)c(OC)c(OC)c3)(C(=O)OC2)[H])[H])c1
SPLASH splash10-001i-0900800000-8905b983d47f980bcb32
Source of Spectrum G4-66-1425-2
Wiley ID 1883912