| SpectraBase Compound ID | 3aZ3XHtHbZA |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15?,16?,17?,18-,19?,20?,21?,22?,23?,24?,25-,26+,27?/m0/s1 |
| InChIKey | BQNMOLSYHYSCMS-NFEABTDXSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fzot8YPgCGO |
|---|---|
| Name | 12-Epirockogenin |
| Alternate Name(s) | (3beta)-spirostan-3,12-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15?,16?,17?,18-,19?,20?,21?,22?,23?,24?,25-,26+,27?/m0/s1 |
| InChIKey | BQNMOLSYHYSCMS-NFEABTDXSA-N |
| Molecular Weight | 432.645 g/mol |
| SMILES | OC1CC2[C@]3(CC[C@@](CC3CCC2C2[C@]1(C1C(C2)OC2(C1C)OCC(CC2)C)C)(O)[H])C |
| SPLASH | splash10-0uy0-0935100000-a368fa9486e1426075e4 |
| Source of Spectrum | CD-508-0-0 |
| Wiley ID | 1382461 |