| SpectraBase Compound ID | HrNzSyIcJi5 |
|---|---|
| InChI | InChI=1S/C33H42O11/c1-17-14-15-32(7,8)29(38)25(37)28(42-21(5)35)19(3)27(41-20(4)34)24-26(44-31(39)23-12-10-9-11-13-23)18(2)16-33(24,40)30(17)43-22(6)36/h9-15,17-18,24-28,30,37,40H,3,16H2,1-2,4-8H3/b15-14+/t17-,18+,24-,25+,26+,27+,28+,30-,33-/m1/s1 |
| InChIKey | YYRYPXZAUGCBGJ-GTTVGPAISA-N |
| Mol Weight | 614.7 g/mol |
| Molecular Formula | C33H42O11 |
| Exact Mass | 614.272712 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1s7WYxfbYrx |
|---|---|
| Name | 5,7,14-Triacetoxy-3-(benzoyloxy)-8,15-dihydroxy-9-oxo-Jatropha-6(17),11(E)-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H42O11 |
| InChI | InChI=1S/C33H42O11/c1-17-14-15-32(7,8)29(38)25(37)28(42-21(5)35)19(3)27(41-20(4)34)24-26(44-31(39)23-12-10-9-11-13-23)18(2)16-33(24,40)30(17)43-22(6)36/h9-15,17-18,24-28,30,37,40H,3,16H2,1-2,4-8H3/b15-14+/t17-,18+,24-,25+,26+,27+,28+,30-,33-/m1/s1 |
| InChIKey | YYRYPXZAUGCBGJ-GTTVGPAISA-N |
| Molecular Weight | 614.688 g/mol |
| SMILES | O[C@]1([C@](C([C@@]([C@@]2([C@@]([C@@]([C@@](\C=C\C(C1=O)(C)C)(C)[H])(OC(=O)C)[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-0910000000-760dbad20b932bfc3b5a |
| Source of Spectrum | G4-61-755-8 |
| Wiley ID | 1607268 |