| SpectraBase Compound ID | IGhWEoCanxa |
|---|---|
| InChI | InChI=1S/C20H29N3O5S.Na/c1-6-15-12(3)20(25)23-17(15)10-16-13(4)19(14(5)22-16)11(2)9-18(24)21-7-8-29(26,27)28;/h10-11,22H,6-9H2,1-5H3,(H,21,24)(H,23,25)(H,26,27,28);/q;+1/p-1/b17-10-;/t11-;/m0./s1 |
| InChIKey | BOBDRYMPLYTGAO-FVTQCBJRSA-M |
| Mol Weight | 445.51 g/mol |
| Molecular Formula | C20H28N3NaO5S |
| Exact Mass | 445.164736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYbzRijc5Bm |
|---|---|
| Name | SODIUM-TAURO-BETA-METHYL-XANTHO-BILIRUBINATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28N3NaO5S |
| InChI | InChI=1S/C20H29N3O5S.Na/c1-6-15-12(3)20(25)23-17(15)10-16-13(4)19(14(5)22-16)11(2)9-18(24)21-7-8-29(26,27)28;/h10-11,22H,6-9H2,1-5H3,(H,21,24)(H,23,25)(H,26,27,28);/q;+1/p-1/b17-10-;/t11-;/m0./s1 |
| InChIKey | BOBDRYMPLYTGAO-FVTQCBJRSA-M |
| Literature Reference Author | S.E.BOIADJIEV,D.A.LIGHTNER |
| Literature Reference Citation | MH.CHEM.,134,51(2003) |
| Literature Reference DOI | 10.1007/s00706-002-0511-x |
| Molecular Weight | 445.509 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP5245 |