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7-O-.beta.-D-Acetylglucoside-(methylene-1',3'-dioxy)isoflavone
SpectraBase Compound ID AM18JKZ64Ru
InChI InChI=1S/C30H28O14/c1-14(31)36-12-25-27(40-15(2)32)28(41-16(3)33)29(42-17(4)34)30(44-25)43-19-6-7-20-23(10-19)37-11-21(26(20)35)18-5-8-22-24(9-18)39-13-38-22/h5-11,25,27-30H,12-13H2,1-4H3/t25-,27?,28-,29-,30-/m1/s1
InChIKey TXERQNGJFGFYRJ-RYIQDBBLSA-N
Mol Weight 612.54 g/mol
Molecular Formula C30H28O14
Exact Mass 612.147906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Dj963Ukapz
Name 7-O-.beta.-D-Acetylglucoside-(methylene-1',3'-dioxy)isoflavone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28O14
InChI InChI=1S/C30H28O14/c1-14(31)36-12-25-27(40-15(2)32)28(41-16(3)33)29(42-17(4)34)30(44-25)43-19-6-7-20-23(10-19)37-11-21(26(20)35)18-5-8-22-24(9-18)39-13-38-22/h5-11,25,27-30H,12-13H2,1-4H3/t25-,27?,28-,29-,30-/m1/s1
InChIKey TXERQNGJFGFYRJ-RYIQDBBLSA-N
Molecular Weight 612.540 g/mol
SMILES [C@@]1([C@@](C(OC(=O)C)[C@](O[C@]1(Oc1cc2OC=C(C(c2cc1)=O)c1cc2OCOc2cc1)[H])(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-066u-4900000000-a7ee02313b42400e19e3
Source of Spectrum SK-31-3426-3b
Wiley ID 882219