| SpectraBase Compound ID | 2pzKEn6q4Hj |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3/t19-,21-,22-,23-,24-,26-,27-/m0/s1 |
| InChIKey | TXUICONDJPYNPY-FRXWOFFRSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IwGawN0Ai75 |
|---|---|
| Name | Primobolan |
| CAS Registry Number | 303-42-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3/t19-,21-,22-,23-,24-,26-,27-/m0/s1 |
| InChIKey | TXUICONDJPYNPY-FRXWOFFRSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | C=1C(C[C@]2([C@](C1C)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)(OC(CCCCCC)=O)[H])C)[H])[H])[H])C)[H])=O |
| SPLASH | splash10-0079-4900000000-0296cce62062140ec14c |
| Source of Spectrum | CAY-2023-325-0 |
| Wiley ID | 1888291 |