5beta-Pregnane-3a,17a,20a-triol
Compound with spectra: 2 NMR, 3 FTIR, 1 Raman, and 6 MS (GC)
| SpectraBase Compound ID | 5gYjpcq5t6h |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | SCPADBBISMMJAW-UHHUKTEYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
| Enantiomer InChIKey | SCPADBBISMMJAW-MOCZAPKASA-N |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. Spiteller, University Bayreuth, Germany |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. Spiteller, University Bayreuth, Germany |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | QA-32-61-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | BS-1-7-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | P9450-000 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 287024 |
| Copyright | Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | P9450-000 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | E. MERCK AG, DARMSTADT, GERMANY |
| Technique | KBr WAFER |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 287024 |
| Solvent | DMSO-d6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 287024 |
| Solvent | DMSO-d6 |
- Pregnanetriol
- 3.ALPHA.,17.ALPHA.,20.ALPHA.-TRIHYDROXY-5.BETA.-PREGNANE
- 3.ALPHA.,17.ALPHA.,20.BETA.-TRIHYDROXY-5.BETA.-PREGNANE
- Pregnane-3,17,20-triol
- 3a,17a,20a-Trihydroxy-5beta-pregnane, Pregnanetriol
- (3R,5R,8R,9S,10S,13S,14S,17R)-17-((S)-1-hydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- 5-.BETA.-PREGNANE-3.ALPHA.,17.ALPHA.,20.BETA.-TRIOL
21-Chloro-5β-pregnane-3α,17,20α-triol
21-Bromo-5β-pregnane-3α,17,20β-triol
5β-pregnane-3α,17,20β,21-tetrol
5β-Pregnan-3α,17β-diol-20-one
5α-Pregnan-3β,17β-diol-20-one
17-ALPHA-[(N-4-AZIDO-2-NITROPHENYL)-AMINOETHYL]-5-ALPHA-ANDROSTANE-3-BETA,17-BETA-DIOL
5β-pregnane-1β,3α,17,20β,21-pentol
3.beta.-tert-Butoxy-17.alpha.-hydroxy-5.alpha.-androstane-17.beta.-carboxaldehyde
5β-pregnane-3α,17,21-triol, 3,21-diacetate
KnowItAll NMR Spectral Library
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