| SpectraBase Compound ID | ByPjuN2ZERQ |
|---|---|
| InChI | InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3/t11-,12+,14+,15-/m1/s1 |
| InChIKey | TXIKNNOOLCGADE-PAPYEOQZSA-N |
| Mol Weight | 252.35 g/mol |
| Molecular Formula | C15H24O3 |
| Exact Mass | 252.172545 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8toW38KQxX |
|---|---|
| Name | Zedoarondiol |
| Alternate Name(s) | (3S,3aS,8R,8aR)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one (3S,3aS,8R,8aR)-3,8-dihydroxy-5-isopropylidene-3,8-dimethyl-1,2,3a,4,7,8a-hexahydroazulen-6-one (3S,3aS,8R,8aR)-3,8-dimethyl-3,8-bis(oxidanyl)-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H24O3 |
| InChI | InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3/t11-,12+,14+,15-/m1/s1 |
| InChIKey | TXIKNNOOLCGADE-PAPYEOQZSA-N |
| Molecular Weight | 252.354 g/mol |
| SMILES | O[C@@]1(CC(C(C[C@@]2([C@](CC[C@@]12[H])(O)C)[H])=C(C)C)=O)C |
| SPLASH | splash10-0006-9100000000-6f289566f99083988790 |
| Source of Spectrum | F-51-6310-12 |
| Wiley ID | 792253 |