| SpectraBase Compound ID | ISG1EoMyDce |
|---|---|
| InChI | InChI=1S/C32H44O7/c1-9-10-11-12-13-14-28(35)38-27-17-25-24(31(25,7)8)16-20(3)30(36)32(39-23(6)34)18-21(4)29(37-22(5)33)26(32)15-19(27)2/h11-16,21,24-27,29H,9-10,17-18H2,1-8H3/b12-11+,14-13+,19-15+,20-16+/t21-,24-,25+,26+,27-,29+,32-/m1/s1 |
| InChIKey | KSJNHGXSBXJELT-OQOAEUASSA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C32H44O7 |
| Exact Mass | 540.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvORhSepodl |
|---|---|
| Name | Euphohelioscopin A, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 540.308703750 u |
| Formula | C32H44O7 |
| InChI | InChI=1S/C32H44O7/c1-9-10-11-12-13-14-28(35)38-27-17-25-24(31(25,7)8)16-20(3)30(36)32(39-23(6)34)18-21(4)29(37-22(5)33)26(32)15-19(27)2/h11-16,21,24-27,29H,9-10,17-18H2,1-8H3/b12-11+,14-13+,19-15+,20-16+/t21-,24-,25+,26+,27-,29+,32-/m1/s1 |
| InChIKey | KSJNHGXSBXJELT-OQOAEUASSA-N |
| Molecular Weight | 540.697 g/mol |
| SMILES | [C@@]12([C@](C[C@]([C@@]2(OC(C)=O)[H])(C)[H])(C(\C(=C\[C@@]2([C@](C[C@](\C(=C\1)C)(OC(=O)\C=C\C=C\CCC)[H])(C2(C)C)[H])[H])C)=O)OC(=O)C)[H] |