| SpectraBase Compound ID | 9Atkj8UGvsA |
|---|---|
| InChI | InChI=1S/C35H44O12/c1-18-15-16-34(8,9)31(40)30(45-23(6)38)29(44-22(5)37)20(3)28(43-21(4)36)26-27(47-33(41)25-13-11-10-12-14-25)19(2)17-35(26,42)32(18)46-24(7)39/h10-16,18-19,26-30,32,42H,3,17H2,1-2,4-9H3/b16-15+/t18-,19+,26-,27+,28+,29+,30+,32-,35-/m1/s1 |
| InChIKey | RWCCSDWQXFKGJW-MGHVEOLPSA-N |
| Mol Weight | 656.7 g/mol |
| Molecular Formula | C35H44O12 |
| Exact Mass | 656.283277 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F4bFIYzGKQi |
|---|---|
| Name | 5,7,8,14-tetrakis(Acetoxy)-3-(benzoyloxy)-15-hydroxy-9-oxo-Jatropha-6(17),11(E)-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H44O12 |
| InChI | InChI=1S/C35H44O12/c1-18-15-16-34(8,9)31(40)30(45-23(6)38)29(44-22(5)37)20(3)28(43-21(4)36)26-27(47-33(41)25-13-11-10-12-14-25)19(2)17-35(26,42)32(18)46-24(7)39/h10-16,18-19,26-30,32,42H,3,17H2,1-2,4-9H3/b16-15+/t18-,19+,26-,27+,28+,29+,30+,32-,35-/m1/s1 |
| InChIKey | RWCCSDWQXFKGJW-MGHVEOLPSA-N |
| Molecular Weight | 656.725 g/mol |
| SMILES | O[C@@]12[C@@]([C@](C([C@@]([C@@](C(C(C)(C)\C=C\[C@]([C@]2(OC(=O)C)[H])(C)[H])=O)(OC(=O)C)[H])(OC(=O)C)[H])=C)(OC(=O)C)[H])([C@@](OC(=O)c2ccccc2)([C@@](C)(C1)[H])[H])[H] |
| SPLASH | splash10-0a4i-0900000000-f5243a4cbc20ccdeaf52 |
| Source of Spectrum | G4-61-754-4 |
| Wiley ID | 1607272 |