| SpectraBase Compound ID | KHieStQ2JJo |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15?,18-,19+,20?,21?,22?,23?,24+,25-/m1/s1 |
| InChIKey | VDZDKQBSTYNFGG-PUWLCAIZSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | LY8k4f1ehKW |
|---|---|
| Name | 5β-Pregnan-3β,20β-diol diacetate |
| Source of Sample | Steraloids Inc. |
| Catalog Number | P6160-000 |
| Lot Number | 5148 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15?,18-,19+,20?,21?,22?,23?,24+,25-/m1/s1 |
| InChIKey | VDZDKQBSTYNFGG-PUWLCAIZSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 404.591 g/mol |
| SMILES | C1[C@@]2(C3CC[C@@]4(C(CCC4C3CC[C@@]2(C[C@](C1)(OC(C)=O)[H])[H])C(C)OC(=O)C)C)C |
| Source of Spectrum | Forensic Spectral Research |
| Technique | KBr0 |