| SpectraBase Spectrum ID |
Fl7EHfCLAya |
| Name |
17-.beta.-Methyl-20-oxo-18-nor-17-.alpha.-pregna-5,13-diene-3-.beta.,16-.alpha.,21-diyl 3-acetate 16-formate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.224974125 u |
| Formula |
C24H32O5 |
| InChI |
InChI=1S/C24H32O5/c1-14(26)24(4)21-8-7-20-18(19(21)12-22(24)28-13-25)6-5-16-11-17(29-15(2)27)9-10-23(16,20)3/h5,13,17-18,20,22H,6-12H2,1-4H3/t17-,18-,20-,22+,23-,24-/m0/s1 |
| InChIKey |
WPOSVVXURQLUFZ-LUEYPLBRSA-N |
| Molecular Weight |
400.515 g/mol |
| SMILES |
C12=C([C@]3([C@]([C@@]4(C(C[C@@](OC(=O)C)(CC4)[H])=CC3)C)([H])CC1)[H])C[C@]([C@]2(C(=O)C)C)(OC=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829145 |
