| SpectraBase Compound ID | AoOXAWvXRDW |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5,8-9,12,14-15H,6-7H2,1-4H3/t8-,9-,12+,14-,15-,17+/m1/s1 |
| InChIKey | RTZXXBPATUWPKS-QMUDVVORSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7ZAPgMUPDIY |
|---|---|
| Name | Heleniamarin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5,8-9,12,14-15H,6-7H2,1-4H3/t8-,9-,12+,14-,15-,17+/m1/s1 |
| InChIKey | RTZXXBPATUWPKS-QMUDVVORSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | [C@@]12([C@@]([C@]3([C@@](OC([C@@]3(C)[H])=O)(C[C@](C1=CCC2=O)(C)[H])[H])[H])(OC(=O)C)[H])C |
| SPLASH | splash10-03di-0090000000-e8b4d80905d53e0bbfec |
| Source of Spectrum | X2-44-618-2 |
| Wiley ID | 1600923 |