| SpectraBase Spectrum ID |
Dqp1XXYaxoU |
| Name |
Androst-5-en-17-one, 3-(acetyloxy)-19-iodo-, (3.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.116139791 u |
| Formula |
C21H29IO3 |
| InChI |
InChI=1S/C21H29IO3/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1 |
| InChIKey |
CSKDQVBRIWZGLL-JPRZGNOKSA-N |
| Molecular Weight |
456.364 g/mol |
| SMILES |
[C@]12(C(=CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])C[C@@](OC(=O)C)(CC1)[H])CI |
