| SpectraBase Compound ID | KRh4ULhC2Zc |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8-11,13,16H,4,6-7H2,1-3H3/t8-,9-,10-,11+,13+,15+/m0/s1 |
| InChIKey | HAJHRAMQWCGKJD-RDFJVICFSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LxYtGBTctwt |
|---|---|
| Name | 11.alpha.,13-dihydro-2.alpha.-hydroxy-alantolactone |
| Alternate Name(s) | (3S,3aR,5S,7S,8aR,9aR)-7-hydroxy-3,5,8a-trimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3S,3aR,5S,7S,8aR,9aR)-3,5,8a-trimethyl-7-oxidanyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8-11,13,16H,4,6-7H2,1-3H3/t8-,9-,10-,11+,13+,15+/m0/s1 |
| InChIKey | HAJHRAMQWCGKJD-RDFJVICFSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | O[C@]1(C[C@@](C=2[C@@](C[C@]3(OC([C@]([C@]3(C2)[H])(C)[H])=O)[H])(C1)C)(C)[H])[H] |
| SPLASH | splash10-0006-9000000000-27b7066aab890da9f0b9 |
| Source of Spectrum | X2-47-1016-4 |
| Wiley ID | 1601596 |