| SpectraBase Compound ID | 4avniUpb16k |
|---|---|
| InChI | InChI=1S/C25H34O7/c1-24-10-9-15(26)11-14(24)3-4-16-17-5-6-18(25(17,2)12-19(27)23(16)24)20(28)13-32-22(31)8-7-21(29)30/h11,16-19,23,27H,3-10,12-13H2,1-2H3,(H,29,30)/t16?,17?,18-,19+,23?,24+,25+/m1/s1 |
| InChIKey | KEECMXYFGNWLEA-VWYXHTKKSA-N |
| Mol Weight | 446.5 g/mol |
| Molecular Formula | C25H34O7 |
| Exact Mass | 446.230453 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Bw9D4hBk01A |
|---|---|
| Name | 4-Pregnen-11β,21-diol-3,20-dione 21-hemisuccinate |
| Source of Sample | Steraloids Inc. |
| Catalog Number | Q1562-000 |
| Lot Number | B1124 |
| CAS Registry Number | 10215-77-7 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34O7 |
| InChI | InChI=1S/C25H34O7/c1-24-10-9-15(26)11-14(24)3-4-16-17-5-6-18(25(17,2)12-19(27)23(16)24)20(28)13-32-22(31)8-7-21(29)30/h11,16-19,23,27H,3-10,12-13H2,1-2H3,(H,29,30)/t16?,17?,18-,19+,23?,24+,25+/m1/s1 |
| InChIKey | KEECMXYFGNWLEA-VWYXHTKKSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 446.540 g/mol |
| SMILES | OC(CCC(OCC([C@@]1([C@]2(C[C@@](C3[C@]4(CCC(\C=C/4CCC3C2CC1)=O)C)(O)[H])C)[H])=O)=O)=O |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Corticosterone hemisuccinate |
| Technique | KBr0 |