| SpectraBase Spectrum ID |
IHOoqKVPyWt |
| Name |
17.beta.-Methyl-16.beta.-acetoxy-18-nor-17-isopregna-4,13-dien-3,20-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.214409442 u |
| Formula |
C23H30O4 |
| InChI |
InChI=1S/C23H30O4/c1-13(24)23(4)20-8-7-19-17(18(20)12-21(23)27-14(2)25)6-5-15-11-16(26)9-10-22(15,19)3/h11,17,19,21H,5-10,12H2,1-4H3/t17-,19-,21-,22-,23-/m0/s1 |
| InChIKey |
BQNWGPKXDLLXAK-JYFICSRFSA-N |
| Molecular Weight |
370.489 g/mol |
| SMILES |
C1(CC[C@]2(C(=C1)CC[C@@]1([C@@]2(CCC2=C1C[C@@]([C@@]2(C)C(=O)C)(OC(=O)C)[H])[H])[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901064 |
