![Androstan-17.beta.-ol, 3.beta.-[(.alpha.-methylphenethyl)amino]-, acetate (ester), (.+-.)-](/api/spectrum/AupfTsmYERX/structure.png?h=300&w=458 "Androstan-17.beta.-ol, 3.beta.-[(.alpha.-methylphenethyl)amino]-, acetate (ester), (.+-.)-")
| SpectraBase Compound ID | GFi8tSL8YtX |
|---|---|
| InChI | InChI=1S/C30H45NO2/c1-20(18-22-8-6-5-7-9-22)31-24-14-16-29(3)23(19-24)10-11-25-26-12-13-28(33-21(2)32)30(26,4)17-15-27(25)29/h5-9,20,23-28,31H,10-19H2,1-4H3/t20?,23?,24-,25?,26?,27?,28-,29-,30-/m0/s1 |
| InChIKey | KIFOPEWPOZHERX-KFWVDCQBSA-N |
| Mol Weight | 451.7 g/mol |
| Molecular Formula | C30H45NO2 |
| Exact Mass | 451.34503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AupfTsmYERX |
|---|---|
| Name | Androstan-17.beta.-ol, 3.beta.-[(.alpha.-methylphenethyl)amino]-, acetate (ester), (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 451.345029691 u |
| Formula | C30H45NO2 |
| InChI | InChI=1S/C30H45NO2/c1-20(18-22-8-6-5-7-9-22)31-24-14-16-29(3)23(19-24)10-11-25-26-12-13-28(33-21(2)32)30(26,4)17-15-27(25)29/h5-9,20,23-28,31H,10-19H2,1-4H3/t20?,23?,24-,25?,26?,27?,28-,29-,30-/m0/s1 |
| InChIKey | KIFOPEWPOZHERX-KFWVDCQBSA-N |
| Molecular Weight | 451.695 g/mol |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CC[C@](NC(CC2=CC=CC=C2)C)(C4)[H])C)CC[C@@]1(OC(=O)C)[H])C |