| SpectraBase Spectrum ID |
7yncKnKPStB |
| Name |
Pregnan-20-one, 3-(acetyloxy)-18-iodo-, (3.beta.,5.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.163089984 u |
| Formula |
C23H35IO3 |
| InChI |
InChI=1S/C23H35IO3/c1-14(25)19-6-7-21-18-5-4-16-12-17(27-15(2)26)8-10-22(16,3)20(18)9-11-23(19,21)13-24/h16-21H,4-13H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-/m0/s1 |
| InChIKey |
APLDKXGBYZOSCW-WNCKLLFJSA-N |
| Molecular Weight |
486.434 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])CI |
