| SpectraBase Compound ID | IIqS2Q1gdjI |
|---|---|
| InChI | InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13+/t23-,27+,36-,37+,38+/m1/s1 |
| InChIKey | GEZHEQNLKAOMCA-HJVPOOLRSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C38H44O8 |
| Exact Mass | 628.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xW8Y5mWibi |
|---|---|
| Name | GAMBOGIC-ACID;GA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H44O8 |
| InChI | InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13+/t23-,27+,36-,37+,38+/m1/s1 |
| InChIKey | GEZHEQNLKAOMCA-HJVPOOLRSA-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 | 628.763 g/mol |
| Sample ID | 73704 |
| Solvent | DMSO-D6 |