| SpectraBase Compound ID | 5QSrABX40Ay |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-14(23)25-16-7-10-20(2)15(13-16)5-6-17-18(20)8-11-21(3)19(17)9-12-22(21,4)24/h5,16-19,24H,6-13H2,1-4H3/t16-,17+,18-,19-,20-,21-,22-/m0/s1 |
| InChIKey | HKJDAKOHPSORBF-YRCTWBNTSA-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 | EvSHYlUHlrx |
|---|---|
| Name | Methandriol 3-Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-14(23)25-16-7-10-20(2)15(13-16)5-6-17-18(20)8-11-21(3)19(17)9-12-22(21,4)24/h5,16-19,24H,6-13H2,1-4H3/t16-,17+,18-,19-,20-,21-,22-/m0/s1 |
| InChIKey | HKJDAKOHPSORBF-YRCTWBNTSA-N |
| Molecular Weight | 346.511 g/mol |
| SMILES | O[C@]1(CC[C@]2([C@@]3(CC=C4C[C@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(OC(=O)C)[H])[H])[H])C |
| SPLASH | splash10-0gvy-5970000000-c1dd1466670771dbe453 |
| Source of Spectrum | SWG-33-565-0 |
| Synonyms | Metandriol 3-acetate Methylandrostenediol 3-acetate 3-O-Acetyl-17a-methylandrost-5-ene-3.beta.,17.beta.-diol (3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID | 1808869 |