Systematic / IUPAC Name: 11,17,20,21-Tetrahydroxypregn-4-en-3-one
ID: Reference1861
Other Names: 4-Pregnen-11β,17α,20β,21-tetraol-3-one
Formula: C21H32O5
20 β-Dihydrocortisol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Plus Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 39 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 1/8/2015 9:40:37 AM |
InChI | InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3 |
InChI Key | AWWCEQOCFFQUKS-DPDBKTHMSA-N |
Canonical SMILES | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O |
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Other Names | 4-Pregnen-11β,17α,20β,21-tetraol-3-one |