| SpectraBase Spectrum ID |
AIHmjGSwW0q |
| Name |
Pregn-5-en-21-one, 21-(4,5-dihydro-4-methyl-3H-pyrrol-2-yl)-3-hydroxy-20-methyl-, (3.beta.,20S,21(R))- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.313729562 u |
| Formula |
C27H41NO2 |
| InChI |
InChI=1S/C27H41NO2/c1-16-13-24(28-15-16)25(30)17(2)21-7-8-22-20-6-5-18-14-19(29)9-11-26(18,3)23(20)10-12-27(21,22)4/h5,16-17,19-23,29H,6-15H2,1-4H3 |
| InChIKey |
HIBLNBRXFIYJIP-UHFFFAOYSA-N |
| Molecular Weight |
411.630 g/mol |
| SMILES |
C1CC(C(C(C=2CC(C)CN2)=O)C)C2(C1C1CC=C3C(C1CC2)(CCC(C3)O)C)C |
