| SpectraBase Compound ID | A6nut4qx2iF |
|---|---|
| InChI | InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13+,23-16+/t24-,28?,37+,38-/m1/s1 |
| InChIKey | RCWNBHCZYXWDOV-DBJWMOHBSA-N |
| Mol Weight | 630.8 g/mol |
| Molecular Formula | C38H46O8 |
| Exact Mass | 630.319268 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D4fXu68ESSI |
|---|---|
| Name | Gambogenic acid |
| Appearance | Yellow powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H46O8 |
| InChI | InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13+,23-16+/t24-,28?,37+,38-/m1/s1 |
| InChIKey | RCWNBHCZYXWDOV-DBJWMOHBSA-N |
| Ionization Type | EI |
| Molecular Weight | 630.778 g/mol |
| SMILES | Oc1c(c(c2c(c1CC=C(C)C)O[C@]13C(C2=O)=C[C@]2(C([C@@]3(OC(C1C2)(C)C)C\C=C/(C)C(=O)O)=O)[H])O)C\C=C\(CCC=C(C)C)C |
| SPLASH | splash10-0kai-2193338000-edb3d3317201d0cd2605 |
| Source of Spectrum | CN103421021A |
| Wiley ID | 1852295 |