| SpectraBase Compound ID | ASCXhcpfKHJ |
|---|---|
| InChI | InChI=1S/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15-,16-,17+,18-,19-,20-,21+;/m0./s1 |
| InChIKey | QQVJEIZJHDPTSH-UTNKIXDHSA-M |
| Mol Weight | 418.52376928 g/mol |
| Molecular Formula | C21H31NaO5S |
| Exact Mass | 418.17899 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | LP1qHEREpuu |
|---|---|
| Name | Pregnenolone sulfate, sodium salt |
| Source of Sample | Steraloids Inc. |
| Catalog Number | Q5545-000 |
| Lot Number | B0355 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 1852-38-6 |
| Classification | progesterone type |
| Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31NaO5S |
| InChI | InChI=1S/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15-,16-,17+,18-,19-,20-,21+;/m0./s1 |
| InChIKey | QQVJEIZJHDPTSH-UTNKIXDHSA-M |
| Instrument Name | Bio-Rad FTS |
| Melting Point | 180.0 - 182.0 °C |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 5-Pregnen-3β-ol-20-one sulfate, sodium salt; 3β-Hydroxy-5-pregnen-20-one 3-sulfate |
| Technique | ATR-Neat (DuraSamplIR II) ground |