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GERMANAISM-A;#1;IRISKASHMIRIANIN-4'-O-BETA-D-GLUCOPYRANOSIDE;5-METHOXY-3-(3'-METHOXY-4'-O-BETA-D-GLUCOPYRANOSYL)-6,7-METHYLENEDIOXY-4H-1-BENZOPYRAN-4-ONE
SpectraBase Compound ID ARnIyoEKQ7l
InChI InChI=1S/C24H24O12/c1-30-13-5-10(3-4-12(13)35-24-21(29)20(28)19(27)16(7-25)36-24)11-8-32-14-6-15-22(34-9-33-15)23(31-2)17(14)18(11)26/h3-6,8,16,19-21,24-25,27-29H,7,9H2,1-2H3/t16-,19-,20+,21-,24-/m0/s1
InChIKey KLWNTVOUNRWTLN-YPEAGQFRSA-N
Mol Weight 504.44 g/mol
Molecular Formula C24H24O12
Exact Mass 504.126776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl3KqudSTbv
Name Germanaism A [5-methoxy-3-(3'-methoxy-4'-O-.beta.,D-glucopyranosyl)-6,7-methylenedioxy-4H-1-benzopyran-4-one]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24O12
InChI InChI=1S/C24H24O12/c1-30-13-5-10(3-4-12(13)35-24-21(29)20(28)19(27)16(7-25)36-24)11-8-32-14-6-15-22(34-9-33-15)23(31-2)17(14)18(11)26/h3-6,8,16,19-21,24-25,27-29H,7,9H2,1-2H3/t16-,19-,20+,21-,24-/m0/s1
InChIKey KLWNTVOUNRWTLN-YPEAGQFRSA-N
Molecular Weight 504.444 g/mol
SMILES O[C@@]1([C@]([C@](CO)(O[C@@]([C@]1(O)[H])(Oc1ccc(C=2C(c3c(c4OCOc4cc3OC2)OC)=O)cc1OC)[H])[H])(O)[H])[H]
SPLASH splash10-0006-0309000000-d1e1cdf2fc5afd019f83
Source of Spectrum E2-50-1102-1
Wiley ID 1555924