| SpectraBase Compound ID | IA76U277UQQ |
|---|---|
| InChI | InChI=1S/C19H26O3/c1-10-7-11-8-12(20)3-4-13(11)14-5-6-19(2)15(17(10)14)9-16(21)18(19)22/h8,10,13-17,21H,3-7,9H2,1-2H3/t10-,13+,14-,15+,16-,17-,19+/m1/s1 |
| InChIKey | ZVXNPBQBIGBNPN-CKDDSQOYSA-N |
| Mol Weight | 302.41 g/mol |
| Molecular Formula | C19H26O3 |
| Exact Mass | 302.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AwZPCmcPPcl |
|---|---|
| Name | 16.alpha.-Hydroxy-7.alpha.-methyl-4-estren-3,17-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.188194694 u |
| Formula | C19H26O3 |
| InChI | InChI=1S/C19H26O3/c1-10-7-11-8-12(20)3-4-13(11)14-5-6-19(2)15(17(10)14)9-16(21)18(19)22/h8,10,13-17,21H,3-7,9H2,1-2H3/t10-,13+,14-,15+,16-,17-,19+/m1/s1 |
| InChIKey | ZVXNPBQBIGBNPN-CKDDSQOYSA-N |
| Molecular Weight | 302.414 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)C[C@]([C@]1([C@@]3(C[C@](C([C@@]3(C)CC[C@]21[H])=O)(O)[H])[H])[H])(C)[H])[H])=O |