| SpectraBase Compound ID | 9V74KPZrCW |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-13(22)23-17-7-6-15-14-8-12-21-18(24-21)5-4-10-20(21,3)16(14)9-11-19(15,17)2/h14-18H,4-12H2,1-3H3/t14-,15-,16-,17-,18?,19-,20+,21-/m0/s1 |
| InChIKey | KCNFNMNXNSDYER-YAUXOZGOSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gh4FWs62mL |
|---|---|
| Name | 17.beta.-Acetoxy-4,5.beta.-epoxyandrostane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-13(22)23-17-7-6-15-14-8-12-21-18(24-21)5-4-10-20(21,3)16(14)9-11-19(15,17)2/h14-18H,4-12H2,1-3H3/t14-,15-,16-,17-,18?,19-,20+,21-/m0/s1 |
| InChIKey | KCNFNMNXNSDYER-YAUXOZGOSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | C1CC[C@]2([C@@]3(C1O3)CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(OC(=O)C)[H])[H])[H])C |