| SpectraBase Spectrum ID |
8RfIkpH6diE |
| Name |
Allopregnane-3,7,11,20-tetra-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.198759378 u |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-11(22)14-4-5-15-18-16(24)9-12-8-13(23)6-7-20(12,2)19(18)17(25)10-21(14,15)3/h12,14-15,18-19H,4-10H2,1-3H3/t12?,14-,15+,18-,19+,20+,21-/m1/s1 |
| InChIKey |
NNKBGWUDXNMXEC-YERAMUOESA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
C1(=O)C[C@@]2([C@@](C(C)=O)(CC[C@]2([C@@]2(C(=O)CC3[C@]([C@@]12[H])(C)CCC(=O)C3)[H])[H])[H])C |
