| SpectraBase Compound ID | JkW4AeYmHb8 |
|---|---|
| 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-JDDSCDDDSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C38H44O8 |
| Exact Mass | 628.303618 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CRYJTpkuvrV |
|---|---|
| Name | Gambogic acid |
| Appearance | Yellow powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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-JDDSCDDDSA-N |
| Ionization Type | EI |
| Molecular Weight | 628.762 g/mol |
| SMILES | OC(\C(=C/C[C@]12[C@]34C(C(c5c(c(c6c(c5O)C=C[C@@](O6)(C)CCC=C(C)C)CC=C(C)C)O3)=O)=C[C@@](C2=O)(CC4C(O1)(C)C)[H])C)=O |
| SPLASH | splash10-0002-0031192000-21523d8a3e1fc83c6138 |
| Source of Spectrum | CN103421021A |
| Wiley ID | 1852300 |