| SpectraBase Compound ID | E5u7QKgeHRY |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-11(20)22-10-15-14-8-18(3,4)6-13(14)7-19(5)9-16(17(15)19)23-12(2)21/h13,16-17H,6-10H2,1-5H3/t13-,16+,17-,19+/m0/s1 |
| InChIKey | DPWLKRHUXOFVLR-WITVHBPWSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 496ylmFQkdY |
|---|---|
| Name | 4,12-diacetoxysterpyrene |
| CAS Registry Number | 138835-52-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-11(20)22-10-15-14-8-18(3,4)6-13(14)7-19(5)9-16(17(15)19)23-12(2)21/h13,16-17H,6-10H2,1-5H3/t13-,16+,17-,19+/m0/s1 |
| InChIKey | DPWLKRHUXOFVLR-WITVHBPWSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1(=C2[C@](CC(C2)(C)C)([H])C[C@]2([C@@]1([C@@](C2)(OC(=O)C)[H])[H])C)COC(=O)C |
| SPLASH | splash10-0fl0-0790000000-46b8788669473d1fd03f |
| Source of Spectrum | J-57-2315-2 |
| Synonyms | (1S,2aR,6aS,7aS)-3-acetoxymethyl-5,5,7a-trimethyl-2,2a,4,5,6,6a,7,7a-octahydro-1H-cyclobuta[f]inden-2-yl-acetic acid 3-(acetoxymethyl)-5,5,7a-trimethyl-2,2a,4,5,6,6a,7,7a-octahydro-1H-cyclobuta[f]inden-2-yl-acetic acid |
| Wiley ID | 1320294 |