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Baicalin hydrate
SpectraBase Compound ID boqVtbCW6L
InChI InChI=1S/C21H18O11.O/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29;/h1-7,16-19,21,23-27H,(H,28,29);/t16-,17-,18+,19-,21+;/m0./s1
InChIKey KSLHBCIQDVISII-ZSESPEEFSA-N
Mol Weight 462.36 g/mol
Molecular Formula C21H18O12
Exact Mass 462.079826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1UrhLcRKN6Z
Name Baicalin hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 375756
CAS Registry Number 206752-33-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O12
InChI InChI=1S/C21H18O11.O/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29;/h1-7,16-19,21,23-27H,(H,28,29);/t16-,17-,18+,19-,21+;/m0./s1
InChIKey KSLHBCIQDVISII-ZSESPEEFSA-N
Observed nucleus 1H
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Baicalein 7-beta-D-glucopyranosiduronate
Wiley ID SIAL_1HNMR_008025