| SpectraBase Compound ID | BnuyzxjFoUV |
|---|---|
| InChI | InChI=1S/C26H34O2/c1-25-14-6-9-22(25)21-11-10-19-17-20(12-16-26(19,2)23(21)13-15-25)28-24(27)18-7-4-3-5-8-18/h3-5,7-8,10,20-23H,6,9,11-17H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1 |
| InChIKey | NCPRXFDSKJBVHB-IXKNJLPQSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C26H34O2 |
| Exact Mass | 378.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dvOubFjcB4 |
|---|---|
| Name | Androst-5-en-3-ol, benzoate, (3.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.255880333 u |
| Formula | C26H34O2 |
| InChI | InChI=1S/C26H34O2/c1-25-14-6-9-22(25)21-11-10-19-17-20(12-16-26(19,2)23(21)13-15-25)28-24(27)18-7-4-3-5-8-18/h3-5,7-8,10,20-23H,6,9,11-17H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1 |
| InChIKey | NCPRXFDSKJBVHB-IXKNJLPQSA-N |
| Molecular Weight | 378.556 g/mol |
| SMILES | [C@]12(C(=CC[C@@]3([C@@]2(CC[C@@]2(CCC[C@@]32[H])C)[H])[H])C[C@@](OC(=O)C=2C=CC=CC2)(CC1)[H])C |