| SpectraBase Compound ID | LIEe1uwzU7r |
|---|---|
| InChI | InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12-,13+,14+,16+,17+/m1/s1 |
| InChIKey | SJFIYVCSGNWVPJ-NXKNYRCLSA-N |
| Mol Weight | 310.39 g/mol |
| Molecular Formula | C17H26O5 |
| Exact Mass | 310.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1ZQObC73Uh0 |
|---|---|
| Name | 1,8,9-Epibotrydial |
| Alternate Name(s) | (1R,3aR,4S,6R,7R,7aR)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate Acetic acid[(1R,3aR,4S,6R,7R,7aR)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl]ester [(1R,3aR,4S,6R,7R,7aR)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl]acetate [(1R,3aR,4S,6R,7R,7aR)-1,7-dimethanoyl-1,3,3,6-tetramethyl-7a-oxidanyl-2,3a,4,5,6,7-hexahydroinden-4-yl]ethanoate [(1R,3aR,4S,6R,7R,7aR)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate [(1R,3aR,4S,6R,7R,7aR)-1,7-dimethanoyl-1,3,3,6-tetramethyl-7a-oxidanyl-2,3a,4,5,6,7-hexahydroinden-4-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H26O5 |
| InChI | InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12-,13+,14+,16+,17+/m1/s1 |
| InChIKey | SJFIYVCSGNWVPJ-NXKNYRCLSA-N |
| Molecular Weight | 310.390 g/mol |
| SMILES | O[C@@]12[C@@](CC([C@@]2([C@@](OC(=O)C)(C[C@]([C@]1(C=O)[H])(C)[H])[H])[H])(C)C)(C=O)C |
| SPLASH | splash10-0006-9010000000-5b5c7708f78349af7da1 |
| Source of Spectrum | F-55-2398-4 |
| Wiley ID | 836960 |