![3-[(3'-Methoxyphenyl)phenylmethylene]androsta-1,4-dien-17-one](/api/spectrum/4Ene8XLNiSF/structure.png?h=300&w=458 "3-[(3'-Methoxyphenyl)phenylmethylene]androsta-1,4-dien-17-one")
| SpectraBase Compound ID | ppSagYLieD |
|---|---|
| InChI | InChI=1S/C33H36O2/c1-32-18-16-24(31(22-8-5-4-6-9-22)23-10-7-11-26(21-23)35-3)20-25(32)12-13-27-28-14-15-30(34)33(28,2)19-17-29(27)32/h4-11,16,18,20-21,27-29H,12-15,17,19H2,1-3H3/b31-24+/t27-,28-,29-,32-,33-/m0/s1 |
| InChIKey | WLUUFAIMBRBHAP-AJOWJIQRSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C33H36O2 |
| Exact Mass | 464.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Ene8XLNiSF |
|---|---|
| Name | 3-[(3'-Methoxyphenyl)phenylmethylene]androsta-1,4-dien-17-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.271530397 u |
| Formula | C33H36O2 |
| InChI | InChI=1S/C33H36O2/c1-32-18-16-24(31(22-8-5-4-6-9-22)23-10-7-11-26(21-23)35-3)20-25(32)12-13-27-28-14-15-30(34)33(28,2)19-17-29(27)32/h4-11,16,18,20-21,27-29H,12-15,17,19H2,1-3H3/b31-24+/t27-,28-,29-,32-,33-/m0/s1 |
| InChIKey | WLUUFAIMBRBHAP-AJOWJIQRSA-N |
| Molecular Weight | 464.649 g/mol |
| SMILES | [C@@]12(C(=C\C(C=C2)=C\(C=2C=C(OC)C=CC2)C=2C=CC=CC2)CC[C@]2([C@@]3(CCC([C@]3(CC[C@]12[H])C)=O)[H])[H])C |