| SpectraBase Compound ID | L8e2MznmE4F |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-3-14-5-7-18-17-6-4-15-12-16(23)8-11-21(15,13-22)19(17)9-10-20(14,18)2/h3,14-19,22-23H,1,4-13H2,2H3/t14-,15-,16-,17-,18-,19-,20+,21+/m0/s1 |
| InChIKey | VBJNSFFFEBGPIC-YVFDZHEOSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5XckxOuLPlx |
|---|---|
| Name | Stereonsteroid A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-3-14-5-7-18-17-6-4-15-12-16(23)8-11-21(15,13-22)19(17)9-10-20(14,18)2/h3,14-19,22-23H,1,4-13H2,2H3/t14-,15-,16-,17-,18-,19-,20+,21+/m0/s1 |
| InChIKey | VBJNSFFFEBGPIC-YVFDZHEOSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np050384c |
| Molecular Weight | 318.501 g/mol |
| Optical Rotation | [a]D25 = +18.6 (c = 0.3, CHCl3) |
| Reported Formula | C21H34O2 |
| SMILES | O[C@]1(CC[C@@]2(CO)[C@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(C=C)[H])[H])C)[H])[H])[H])[H] |
| SPLASH | splash10-0159-7930000000-397910694475714559c5 |
| Source of Spectrum | G4-69-106-1 |
| Wiley ID | 1873938 |