| SpectraBase Compound ID | 5SPr2KqaUgJ |
|---|---|
| InChI | InChI=1S/C15H24O2/c1-14(2)5-9-6-15(3)12(4-13(15)17)11(8-16)10(9)7-14/h9,12-13,16-17H,4-8H2,1-3H3/t9-,12+,13-,15-/m0/s1 |
| InChIKey | BHLLKLUQUGBURV-AETLKFDBSA-N |
| Mol Weight | 236.35 g/mol |
| Molecular Formula | C15H24O2 |
| Exact Mass | 236.17763 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GSUL1FX1v9O |
|---|---|
| Name | 5,12-Dihydroxysterpyrene |
| Alternate Name(s) | (1S,2aR,6aS,7aS)-3-Hydroxymethyl-5,5,7a-trimethyl-2,2a,4,5,6,6a,7,7a-octahydro-1H-cyclobuta[f]inden-1-ol 3-(hydroxymethyl)-5,5,7a-trimethyl-2,2a,4,5,6,6a,7,7a-octahydro-1H-cyclobuta[f]inden-1-ol |
| CAS Registry Number | 138835-51-5 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H24O2 |
| InChI | InChI=1S/C15H24O2/c1-14(2)5-9-6-15(3)12(4-13(15)17)11(8-16)10(9)7-14/h9,12-13,16-17H,4-8H2,1-3H3/t9-,12+,13-,15-/m0/s1 |
| InChIKey | BHLLKLUQUGBURV-AETLKFDBSA-N |
| Molecular Weight | 236.355 g/mol |
| SMILES | OCC1=C2[C@](C[C@]3([C@@]1(C[C@@]3(O)[H])[H])C)(CC(C2)(C)C)[H] |
| SPLASH | splash10-0a4i-0900000000-bebb485db7d37a90327d |
| Source of Spectrum | J-57-2315-3 |
| Wiley ID | 1238814 |