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Daidzin pentaacetate (CD341-0-0)
SpectraBase Compound ID CraKAbeR9nQ
InChI InChI=1S/C31H30O14/c1-15(32)38-14-26-28(41-17(3)34)29(42-18(4)35)30(43-19(5)36)31(45-26)44-22-10-11-23-25(12-22)39-13-24(27(23)37)20-6-8-21(9-7-20)40-16(2)33/h6-13,26,28-31H,14H2,1-5H3/t26-,28-,29+,30-,31-/m1/s1
InChIKey AKUNFARUAPUWJH-OVFXHNNVSA-N
Mol Weight 626.57 g/mol
Molecular Formula C31H30O14
Exact Mass 626.163556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ElVYfkNV2
Name Daidzin pentaacetate (CD341-0-0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30O14
InChI InChI=1S/C31H30O14/c1-15(32)38-14-26-28(41-17(3)34)29(42-18(4)35)30(43-19(5)36)31(45-26)44-22-10-11-23-25(12-22)39-13-24(27(23)37)20-6-8-21(9-7-20)40-16(2)33/h6-13,26,28-31H,14H2,1-5H3/t26-,28-,29+,30-,31-/m1/s1
InChIKey AKUNFARUAPUWJH-OVFXHNNVSA-N
Molecular Weight 626.567 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(Oc1cc2OC=C(C(c2cc1)=O)c1ccc(OC(=O)C)cc1)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-067o-4912000000-770db24d3e861a1f4487
Source of Spectrum MZ-0-0-1
Wiley ID 860289