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Glycocholic acid-(glycine-13C2) monohydrate, 99 atom % 13C

Compound with spectra: 2 NMR

Glycocholic acid-(glycine-13C2) monohydrate, 99 atom % 13C
SpectraBase Compound ID Hj2rriyRTVb
InChI InChI=1S/C28H46N2O7.O/c1-15(4-7-23(33)30-14-24(34)35)18-5-6-19-26-20(12-22(32)28(18,19)3)27(2)9-8-17(37-25(36)13-29)10-16(27)11-21(26)31;/h15-22,26,31-32H,4-14,29H2,1-3H3,(H,30,33)(H,34,35);/t15-,16?,17-,18-,19+,20+,21-,22+,26+,27+,28-;/m1./s1/i13+1,25+1;
InChIKey XBKBVIYQGDBOBQ-VVALMXOOSA-N
Mol Weight 540.7 g/mol
Molecular Formula C2613C2H46N2O8
Exact Mass 540.332126 g/mol
Enantiomer InChIKey XBKBVIYQGDBOBQ-BLHXVWJTSA-N

View Spectrum of Glycocholic acid-(glycine-13C2) monohydrate, 99 atom % 13C

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 337617
Solvent DMSO-d6

View Spectrum of Glycocholic acid-(glycine-13C2) monohydrate, 99 atom % 13C

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 337617
Solvent DMSO-d6
3A-ACETYLOXY-7A,12A-DIHYDROXY-5B-CHOLAN-24-OATE
METHYL-3-ALPHA-ACETYLOXY-7-ALPHA,12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
Butyl 3.alpha.-acetoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholanate
Ethyl 3.alpha.-acetoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholanate
Cholan-24-oic acid, 7,12-dihydroxy-3-(1-oxopropoxy)-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
Propyl 3.alpha.-acetoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholanate
Methyl ester of (3.alpha.,5.beta.,7.alpha.,12.alpha.)-7,12-dihydroxy-3-(nitrooxy)cholan-24-oic acid
Methyl 3-carbethoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholan-24-oate
Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-7,12-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
Cholic acid, methyl ester, 3-(methyl carbonate)
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Unknown Identification

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