| SpectraBase Compound ID | 4jIwjGyEAsn |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3 |
| InChIKey | SWHHMTKXNOSPLE-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8MAKb12dERH |
|---|---|
| Name | Pregnane-3,6,20-triol |
| CAS Registry Number | 70286-67-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3 |
| InChIKey | SWHHMTKXNOSPLE-UHFFFAOYSA-N |
| Molecular Weight | 336.516 g/mol |
| SMILES | OC1CC2C(C3CCC4(C(CCC4C3CC2O)C(C)O)C)(CC1)C |
| SPLASH | splash10-000w-9320000000-bce325f5d0a8b3b58cf6 |
| Source of Spectrum | O-13-452-4 |
| Synonyms | .3beta.,6.alpha.,20.beta.-Trihydroxy-5.alpha.-pregnane 17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol |
| Wiley ID | 1332706 |