| SpectraBase Compound ID | 6QPUPIZmKVo |
|---|---|
| InChI | InChI=1S/C25H36O6/c1-14(26)30-13-22(29)20-8-7-19-18-6-5-16-11-17(31-15(2)27)9-10-24(16,3)23(18)21(28)12-25(19,20)4/h16-20,23H,5-13H2,1-4H3/t16-,17-,18?,19?,20?,23?,24+,25+/m1/s1 |
| InChIKey | KXMNKLIYGUTTRM-PGNDNPOASA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C25H36O6 |
| Exact Mass | 432.251189 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | By60vKGP9Qq |
|---|---|
| Name | 5β-Pregnan-3α,21-diol-11,20-dione diacetate |
| Source of Sample | Steraloids Inc. |
| Catalog Number | P6250-000 |
| Lot Number | 1686 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O6 |
| InChI | InChI=1S/C25H36O6/c1-14(26)30-13-22(29)20-8-7-19-18-6-5-16-11-17(31-15(2)27)9-10-24(16,3)23(18)21(28)12-25(19,20)4/h16-20,23H,5-13H2,1-4H3/t16-,17-,18?,19?,20?,23?,24+,25+/m1/s1 |
| InChIKey | KXMNKLIYGUTTRM-PGNDNPOASA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 432.557 g/mol |
| SMILES | C1[C@@]2(C3C(C[C@@]4(C(CCC4C3CC[C@@]2(C[C@@](C1)(OC(C)=O)[H])[H])C(COC(C)=O)=O)C)=O)C |
| Source of Spectrum | Forensic Spectral Research |
| Technique | KBr0 |