| SpectraBase Spectrum ID |
GpdEItPO53H |
| Name |
Pregnan-3-one, 20-methyl-, (5.beta.,17.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.276615778 u |
| Formula |
C22H36O |
| InChI |
InChI=1S/C22H36O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h14-15,17-20H,5-13H2,1-4H3/t15-,17-,18-,19-,20-,21-,22+/m0/s1 |
| InChIKey |
BITOYSGQNJZELQ-FQBUEQEESA-N |
| Molecular Weight |
316.529 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(CC[C@]1(C(C)C)[H])[H])C |
