| SpectraBase Compound ID | 1PbLyUjlWta |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-12-19-18(25-20(12)24)11-17-15-5-4-13-10-14(23)6-8-21(13,2)16(15)7-9-22(17,19)3/h12-19,23H,4-11H2,1-3H3/t12-,13-,14-,15?,16?,17?,18-,19-,21-,22-/m0/s1 |
| InChIKey | CYXUDTBTOJCCSJ-CHTSLEJNSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ItcPlPJV75F |
|---|---|
| Name | Tigogeninlctone |
| Alternate Name(s) | 3.beta.,16.beta.-Dihydroxy-5.alpha.-pregnane-20,16-carbolactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-12-19-18(25-20(12)24)11-17-15-5-4-13-10-14(23)6-8-21(13,2)16(15)7-9-22(17,19)3/h12-19,23H,4-11H2,1-3H3/t12-,13-,14-,15?,16?,17?,18-,19-,21-,22-/m0/s1 |
| InChIKey | CYXUDTBTOJCCSJ-CHTSLEJNSA-N |
| Molecular Weight | 346.511 g/mol |
| SMILES | O[C@]1(CC[C@@]2(C3CC[C@]4(C(C3CC[C@]2(C1)[H])C[C@]1([C@@]4([C@@](C(=O)O1)(C)[H])[H])[H])C)C)[H] |
| SPLASH | splash10-002g-4009000000-36bad4d514472e3593e4 |
| Source of Spectrum | SK-28-4056-1 |
| Wiley ID | 880248 |