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4H-1-Benzopyran-4-one, 8-.beta.-D-glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-
SpectraBase Compound ID CgT0TFvzcMx
InChI InChI=1S/C22H22O10/c1-30-10-4-2-9(3-5-10)14-7-13(26)16-11(24)6-12(25)17(21(16)31-14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-25,27-29H,8H2,1H3/t15-,18-,19+,20-,22+/m1/s1
InChIKey ADCCDGCXRFALSQ-PGPONNFDSA-N
Mol Weight 446.41 g/mol
Molecular Formula C22H22O10
Exact Mass 446.121297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChQ0LpOUMyO
Name 4H-1-Benzopyran-4-one, 8-.beta.-D-glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-
CAS Registry Number 2326-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O10
InChI InChI=1S/C22H22O10/c1-30-10-4-2-9(3-5-10)14-7-13(26)16-11(24)6-12(25)17(21(16)31-14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-25,27-29H,8H2,1H3/t15-,18-,19+,20-,22+/m1/s1
InChIKey ADCCDGCXRFALSQ-PGPONNFDSA-N
Molecular Weight 446.408 g/mol
SMILES Oc1cc(c2c(c1[C@]1([C@@]([C@]([C@@]([C@](O1)(CO)[H])(O)[H])(O)[H])(O)[H])[H])OC(=CC2=O)c1ccc(cc1)OC)O
SPLASH splash10-002b-1396500000-c063c6be295248fccc7a
Source of Spectrum T-68-4873-0
Synonyms Cytisoside Trematin
Wiley ID 1386525