| SpectraBase Spectrum ID |
5EBnaNIxrhv |
| Name |
4-Bromo-3-oxo-17.alpha.-pregn-4-en-21,17-carbolactone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.130007791 u |
| Formula |
C22H29BrO3 |
| InChI |
InChI=1S/C22H29BrO3/c1-20-9-7-17(24)19(23)16(20)4-3-13-14(20)5-10-21(2)15(13)6-11-22(21)12-8-18(25)26-22/h13-15H,3-12H2,1-2H3/t13?,14?,15?,20-,21+,22-/m1/s1 |
| InChIKey |
AAVCKDILAWVLKR-WPOCWWETSA-N |
| Molecular Weight |
421.375 g/mol |
| SMILES |
[C@@]12(C(=C(Br)C(CC2)=O)CCC2C3CC[C@@]4([C@]3(CCC12)C)OC(=O)CC4)C |
