| SpectraBase Compound ID | HKpNR5FVBbL |
|---|---|
| InChI | InChI=1S/C26H32O2/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/h3-5,7-8,10-11,20,22-23H,6,9,12-17H2,1-2H3/t20-,22-,23-,25-,26-/m0/s1 |
| InChIKey | SUEQHEDDDZUWLB-ZYTYRFSCSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C26H32O2 |
| Exact Mass | 376.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HxBpD0GLN8Y |
|---|---|
| Name | Androsta-5,7-dien-3-ol, benzoate, (3.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.240230268 u |
| Formula | C26H32O2 |
| InChI | InChI=1S/C26H32O2/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/h3-5,7-8,10-11,20,22-23H,6,9,12-17H2,1-2H3/t20-,22-,23-,25-,26-/m0/s1 |
| InChIKey | SUEQHEDDDZUWLB-ZYTYRFSCSA-N |
| Molecular Weight | 376.540 g/mol |
| SMILES | C=12[C@@]([C@]3(CC[C@](OC(=O)C=4C=CC=CC4)(CC3=CC1)[H])C)(CC[C@]1([C@]2(CCC1)[H])C)[H] |