| SpectraBase Spectrum ID |
EzouBaCztMY |
| Name |
Pregn-5-en-20-one, 3-(acetyloxy)-16-chloro-, (3.beta.,16.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.211822620 u |
| Formula |
C23H33ClO3 |
| InChI |
InChI=1S/C23H33ClO3/c1-13(25)21-20(24)12-19-17-6-5-15-11-16(27-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-21H,6-12H2,1-4H3/t16?,17-,18+,19+,20-,21+,22+,23+/m1/s1 |
| InChIKey |
VEIABLNKNSOQQY-UZTNRJQESA-N |
| Molecular Weight |
392.967 g/mol |
| SMILES |
C1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(C[C@]([C@@]2(C(=O)C)[H])(Cl)[H])[H])C)[H])[H])C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914582 |
