| SpectraBase Compound ID | G1g66PDdQEm |
|---|---|
| InChI | InChI=1S/C21H32O2/c1-13(22)14-3-6-18-15(11-14)4-8-20-19(18)7-5-16-12-17(23)9-10-21(16,20)2/h5,14-15,17-20,23H,3-4,6-12H2,1-2H3/t14-,15-,17+,18?,19?,20?,21+/m1/s1 |
| InChIKey | LLBHIYCMDFTASZ-BNBINPRQSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C21H32O2 |
| Exact Mass | 316.24023 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B7CNtDu4rpg |
|---|---|
| Name | 3.beta.-Hydroxy-17(13-18)-abeo-17.beta.(H)-pregn-5-en-20-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O2 |
| InChI | InChI=1S/C21H32O2/c1-13(22)14-3-6-18-15(11-14)4-8-20-19(18)7-5-16-12-17(23)9-10-21(16,20)2/h5,14-15,17-20,23H,3-4,6-12H2,1-2H3/t14-,15-,17+,18?,19?,20?,21+/m1/s1 |
| InChIKey | LLBHIYCMDFTASZ-BNBINPRQSA-N |
| Molecular Weight | 316.485 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CCC3C2CC[C@@]2(C[C@](C(=O)C)(CCC32)[H])[H])C1)C)[H] |
| SPLASH | splash10-0006-9004000000-40d0560b6a21530a1ba7 |
| Source of Spectrum | K-2002-230-12 |
| Wiley ID | 1580637 |