| SpectraBase Compound ID | 4xZ6ri1231R |
|---|---|
| InChI | InChI=1S/C31H40O10/c1-16-13-14-30(6,7)28(36)23(34)26(40-20(5)33)18(3)25(39-19(4)32)22-24(17(2)15-31(22,38)27(16)35)41-29(37)21-11-9-8-10-12-21/h8-14,16-17,22-27,34-35,38H,3,15H2,1-2,4-7H3/b14-13+/t16-,17+,22-,23+,24+,25+,26+,27-,31-/m1/s1 |
| InChIKey | RCIQJDCADVYGLY-JBOFDIAASA-N |
| Mol Weight | 572.7 g/mol |
| Molecular Formula | C31H40O10 |
| Exact Mass | 572.262147 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HamUW8SE4St |
|---|---|
| Name | 5,7-Diacetoxy-3-(benzoyloxy)-8,14,15-trihydroxy-9-oxo-Jatropha-6(17),11(E)-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H40O10 |
| InChI | InChI=1S/C31H40O10/c1-16-13-14-30(6,7)28(36)23(34)26(40-20(5)33)18(3)25(39-19(4)32)22-24(17(2)15-31(22,38)27(16)35)41-29(37)21-11-9-8-10-12-21/h8-14,16-17,22-27,34-35,38H,3,15H2,1-2,4-7H3/b14-13+/t16-,17+,22-,23+,24+,25+,26+,27-,31-/m1/s1 |
| InChIKey | RCIQJDCADVYGLY-JBOFDIAASA-N |
| Molecular Weight | 572.651 g/mol |
| SMILES | O[C@]1([C@](C([C@@]([C@@]2([C@@]([C@@]([C@@](\C=C\C(C1=O)(C)C)(C)[H])(O)[H])(C[C@@]([C@@]2(OC(=O)c1ccccc1)[H])(C)[H])O)[H])(OC(=O)C)[H])=C)(OC(=O)C)[H])[H] |
| SPLASH | splash10-0a4i-0900000000-e17ce279a780487fda2a |
| Source of Spectrum | G4-61-755-6 |
| Wiley ID | 1607270 |