| SpectraBase Compound ID | KC1BXV9KEaR |
|---|---|
| InChI | InChI=1S/C48H61N3O14S/c1-23(2)10-9-17-46(8)18-16-26-36(55)34-37(56)35-40(66-22-30(42(58)50-21-33(53)54)51-32(52)14-13-29(49)44(61)62)28-20-31-45(6,7)65-47(41(28)57,19-15-25(5)43(59)60)48(31,35)64-39(34)27(38(26)63-46)12-11-24(3)4/h10-11,15-16,18,28-31,35,40,55H,9,12-14,17,19-22,49H2,1-8H3,(H,50,58)(H,51,52)(H,53,54)(H,59,60)(H,61,62)/b25-15+/t28-,29-,30-,31-,35?,40?,46+,47-,48+/m0/s1 |
| InChIKey | BOBAOCSRSBFPMQ-NUTHOXPMSA-N |
| Mol Weight | 936.1 g/mol |
| Molecular Formula | C48H61N3O14S |
| Exact Mass | 935.387425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbWuYVIgPxl |
|---|---|
| Name | 10-GLUTATHIONYL-GAMBOGIC-ACID;10-GGA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H61N3O14S |
| InChI | InChI=1S/C48H61N3O14S/c1-23(2)10-9-17-46(8)18-16-26-36(55)34-37(56)35-40(66-22-30(42(58)50-21-33(53)54)51-32(52)14-13-29(49)44(61)62)28-20-31-45(6,7)65-47(41(28)57,19-15-25(5)43(59)60)48(31,35)64-39(34)27(38(26)63-46)12-11-24(3)4/h10-11,15-16,18,28-31,35,40,55H,9,12-14,17,19-22,49H2,1-8H3,(H,50,58)(H,51,52)(H,53,54)(H,59,60)(H,61,62)/b25-15+/t28-,29-,30-,31-,35?,40?,46+,47-,48+/m0/s1 |
| InChIKey | BOBAOCSRSBFPMQ-NUTHOXPMSA-N |
| Literature Reference Author | J.YANG,L.DING,L.HU,W.QIAN,S.JIN,X.SUN,Z.WANG,W.XIAO |
| Literature Reference Citation | DRUG.MET.DISP.,39,617(2011) |
| Literature Reference DOI | 10.1124/dmd.110.037044 |
| Molecular Weight | 936.084 g/mol |
| Sample ID | 73701 |
| Solvent | DMSO-D6 |