| SpectraBase Compound ID | GCyZiigzWNh |
|---|---|
| InChI | InChI=1S/C23H34O3/c1-4-16-6-8-20-19-7-5-17-13-18(26-15(2)25)9-12-23(17,14-24)21(19)10-11-22(16,20)3/h4,14,16-21H,1,5-13H2,2-3H3/t16-,17-,18-,19-,20-,21-,22+,23+/m0/s1 |
| InChIKey | KFBNAACJXKPXPM-GCIAHNQISA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C23H34O3 |
| Exact Mass | 358.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HTWabo1FQvX |
|---|---|
| Name | Stereonsteroid B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O3 |
| InChI | InChI=1S/C23H34O3/c1-4-16-6-8-20-19-7-5-17-13-18(26-15(2)25)9-12-23(17,14-24)21(19)10-11-22(16,20)3/h4,14,16-21H,1,5-13H2,2-3H3/t16-,17-,18-,19-,20-,21-,22+,23+/m0/s1 |
| InChIKey | KFBNAACJXKPXPM-GCIAHNQISA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np050384c |
| Molecular Weight | 358.522 g/mol |
| Optical Rotation | [a]D25 = +15.4 (c = 0.3, CHCl3) |
| Reported Formula | C23H34O3 |
| SMILES | C1C[C@]2([C@](C[C@]1(OC(C)=O)[H])(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(C=C)[H])[H])C)[H])[H])[H])C=O |
| SPLASH | splash10-0007-9611000000-adbd38a5fef9ef358890 |
| Source of Spectrum | G4-69-106-2 |
| Wiley ID | 1873939 |