| SpectraBase Compound ID | 2U4hyIGy6rx |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-9(2)11-5-6-14(4)7-12(17)13(19-10(3)16)8-15(11,14)18/h9,11-13,17-18H,5-8H2,1-4H3/t11-,12+,13+,14-,15+/m1/s1 |
| InChIKey | WFRVRCOEJYLIDX-FQKPHLNHSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C15H26O4 |
| Exact Mass | 270.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7PqtrEKLxZ0 |
|---|---|
| Name | Acetic acid (3R,3aS,5S,6S,7aR)-3a,6-dihydroxy-3-isopropyl-7a-methyl-octahydro-inden-5-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H26O4 |
| InChI | InChI=1S/C15H26O4/c1-9(2)11-5-6-14(4)7-12(17)13(19-10(3)16)8-15(11,14)18/h9,11-13,17-18H,5-8H2,1-4H3/t11-,12+,13+,14-,15+/m1/s1 |
| InChIKey | WFRVRCOEJYLIDX-FQKPHLNHSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@](C[C@@]1(OC(=O)C)[H])([C@](CC2)(C(C)C)[H])O)C)[H] |
| SPLASH | splash10-002f-8900000000-f26fed8a0b23a4b22138 |
| Source of Spectrum | QC-23-1043-9 |
| Synonyms | (3R,3aS,5S,6S,7aR)-3a,6-dihydroxy-3-isopropyl-7a-methyloctahydro-1H-inden-5-yl acetate Acetic acid [(3R,3aS,5S,6S,7aR)-3a,6-dihydroxy-7a-methyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl] ester [(3R,3aS,5S,6S,7aR)-3a,6-dihydroxy-7a-methyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl] acetate [(3R,3aS,5S,6S,7aR)-3a,6-dihydroxy-3-isopropyl-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl] acetate [(3R,3aS,5S,6S,7aR)-7a-methyl-3a,6-bis(oxidanyl)-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl] ethanoate |
| Wiley ID | 1736904 |