| SpectraBase Compound ID | Bsbfa3Ostrw |
|---|---|
| InChI | InChI=1S/C29H40O/c1-5-20(2)25-13-14-26-24-12-11-21-19-23(30-22-9-7-6-8-10-22)15-17-28(21,3)27(24)16-18-29(25,26)4/h5-11,23-27H,12-19H2,1-4H3/b20-5-/t23?,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | FFXBEXNICZWYHD-VWTNSFJYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C29H40O |
| Exact Mass | 404.307916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4tqvC0joqs |
|---|---|
| Name | 3-B-Phenoxy-24-nor-cholan-5,20(22)-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.307915907 u |
| Formula | C29H40O |
| InChI | InChI=1S/C29H40O/c1-5-20(2)25-13-14-26-24-12-11-21-19-23(30-22-9-7-6-8-10-22)15-17-28(21,3)27(24)16-18-29(25,26)4/h5-11,23-27H,12-19H2,1-4H3/b20-5-/t23?,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | FFXBEXNICZWYHD-VWTNSFJYSA-N |
| Molecular Weight | 404.638 g/mol |
| SMILES | C1(OC2=CC=CC=C2)CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(\C(=C/C)C)[H])[H])C)[H])[H])C |