| SpectraBase Compound ID | 8MQRLAQsxS8 |
|---|---|
| InChI | InChI=1S/C15H26O2/c1-10-6-7-11-12(13(10)16)14(2,3)8-5-9-15(11,4)17/h6,11-13,16-17H,5,7-9H2,1-4H3/t11-,12-,13+,15-/m1/s1 |
| InChIKey | NUXLUAXOQWMFEE-GUIRCDHDSA-N |
| Mol Weight | 238.37 g/mol |
| Molecular Formula | C15H26O2 |
| Exact Mass | 238.19328 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | zMWy7IClE |
|---|---|
| Name | Centadarol (2.alpha.,7.beta.-Dihydroxyhimachal-3-ene) |
| Alternate Name(s) | (1R,5R)-2,5,9,9-tetramethyl-4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[a]cycloheptene-1,5-diol (1R,4aR,5R,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-1,5-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H26O2 |
| InChI | InChI=1S/C15H26O2/c1-10-6-7-11-12(13(10)16)14(2,3)8-5-9-15(11,4)17/h6,11-13,16-17H,5,7-9H2,1-4H3/t11-,12-,13+,15-/m1/s1 |
| InChIKey | NUXLUAXOQWMFEE-GUIRCDHDSA-N |
| Molecular Weight | 238.371 g/mol |
| SMILES | O[C@@]1([C@]2([C@]([C@@](CCCC2(C)C)(O)C)(CC=C1C)[H])[H])[H] |
| SPLASH | splash10-059i-0910000000-04c3c05493c47140912b |
| Source of Spectrum | F-55-767-13 |
| Wiley ID | 836605 |