| SpectraBase Compound ID | BafsHOTxim2 |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-12(22)21(3)18-7-6-17-15(16(18)11-19(21)24)5-4-13-10-14(23)8-9-20(13,17)2/h4,14-15,17,19,23-24H,5-11H2,1-3H3/t14-,15-,17?,19-,20-,21-/m0/s1 |
| InChIKey | YBTXUSKNZNGURS-NDZOOERRSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B1O2zq4rMx6 |
|---|---|
| Name | 3-.beta.16-.beta.-Diydroxy-17.beta.-methyl-18-nor-17.alpha.-pregna-5,13-dien-20-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-12(22)21(3)18-7-6-17-15(16(18)11-19(21)24)5-4-13-10-14(23)8-9-20(13,17)2/h4,14-15,17,19,23-24H,5-11H2,1-3H3/t14-,15-,17?,19-,20-,21-/m0/s1 |
| InChIKey | YBTXUSKNZNGURS-NDZOOERRSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | O[C@@]1(CC=2[C@@](C3[C@](C4=C([C@@]([C@](C4)(O)[H])(C(=O)C)C)CC3)(CC2)[H])(CC1)C)[H] |
| SPLASH | splash10-0q39-0891000000-2047da99b4a16219757a |
| Source of Spectrum | F-65-6177-6 |
| Wiley ID | 1680140 |