| SpectraBase Compound ID | HNJsBSJwGx7 |
|---|---|
| InChI | InChI=1S/C34H46O14/c1-16(2)31(42)46-26-18(4)25(43-19(5)35)24-30(45-21(7)37)33(12,47-22(8)38)15-34(24,48-23(9)39)28(40)17(3)13-14-32(10,11)29(41)27(26)44-20(6)36/h13-14,16-17,24-27,30H,4,15H2,1-3,5-12H3/b14-13+/t17-,24+,25+,26+,27+,30-,33-,34-/m1/s1 |
| InChIKey | MTJFUGKCVVWIBD-DMFVGZLZSA-N |
| Mol Weight | 678.7 g/mol |
| Molecular Formula | C34H46O14 |
| Exact Mass | 678.288756 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K5McfB7VYWP |
|---|---|
| Name | 2,3,5,8,15-Pentaacetoxy-7-(isobutyroyloxy)-9,14-dioxo-Jatropha-6(17),11(E)-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H46O14 |
| InChI | InChI=1S/C34H46O14/c1-16(2)31(42)46-26-18(4)25(43-19(5)35)24-30(45-21(7)37)33(12,47-22(8)38)15-34(24,48-23(9)39)28(40)17(3)13-14-32(10,11)29(41)27(26)44-20(6)36/h13-14,16-17,24-27,30H,4,15H2,1-3,5-12H3/b14-13+/t17-,24+,25+,26+,27+,30-,33-,34-/m1/s1 |
| InChIKey | MTJFUGKCVVWIBD-DMFVGZLZSA-N |
| Molecular Weight | 678.728 g/mol |
| SMILES | [C@]12([C@@]([C@](C([C@@]([C@](OC(=O)C)(C(C(\C=C\[C@](C2=O)(C)[H])(C)C)=O)[H])(OC(=O)C(C)C)[H])=C)(OC(=O)C)[H])([C@@](OC(=O)C)([C@@](C1)(OC(=O)C)C)[H])[H])OC(=O)C |
| SPLASH | splash10-001i-9000010000-0a2910811e2ef7a6cda6 |
| Source of Spectrum | G4-61-755-16 |
| Wiley ID | 1607263 |