| SpectraBase Spectrum ID |
3mq1KmTugav |
| Name |
5α-Pregnan-3β-ol-20-one |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
32708 |
| Lot Number |
0605078-5 |
| Accessory |
DurasamplIR II |
| Apodization Function |
Norton-Beer, medium |
| CAS Registry Number |
516-55-2 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O2 |
| IUPAC Name |
(3β,5α)-3-Hydroxy-pregnan-20-one |
| InChI |
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
AURFZBICLPNKBZ-FZCSVUEKSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
318.501 g/mol |
| Purity |
>=98% |
| SMILES |
O[C@@]1(C[C@@]2(CC[C@@]3([C@@]([C@@]2(C)CC1)(CC[C@]1([C@]3(CC[C@@]1(C(C)=O)[H])[H])C)[H])[H])[H])[H] |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Isopregnanolone; NSC 97078; 5α-Dihydro pregnenolone; Sepranolone |
| Technique |
ATR-Neat |
