| 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 |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | KGx7GXA3Rtb |
|---|---|
| Name | Glycocholic acid-(glycine-13C2) monohydrate, 99 atom % 13C |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 337617 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26[13C]2H46N2O8 |
| 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 |
| Molecular Weight | 540.667 g/mol |
| Observed nucleus | 13C |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_013824 |