| SpectraBase Spectrum ID |
KdQpzUYrlKJ |
| Name |
Pregnane-21-carboxylic acid, 17-hydroxy-3-[(trimethylsilyl)oxy]-, .gamma.-lactone, (3.beta.,5.beta.,17.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.290321744 u |
| Formula |
C25H42O3Si |
| InChI |
InChI=1S/C25H42O3Si/c1-23-12-8-18(28-29(3,4)5)16-17(23)6-7-19-20(23)9-13-24(2)21(19)10-14-25(24)15-11-22(26)27-25/h17-21H,6-16H2,1-5H3/t17-,18+,19-,20+,21+,23+,24+,25+/m1/s1 |
| InChIKey |
BFCMYRAPARSJGU-WMJDIJQNSA-N |
| Molecular Weight |
418.693 g/mol |
| SMILES |
[C@]12([C@]3(OC(=O)CC3)CC[C@]1([C@@]1(CC[C@]3([C@@]([C@]1(CC2)[H])(CC[C@](O[Si](C)(C)C)(C3)[H])C)[H])[H])[H])C |
![Pregnane-21-carboxylic acid, 17-hydroxy-3-[(trimethylsilyl)oxy]-, .gamma.-lactone, (3.beta.,5.beta.,17.alpha.)-](/api/spectrum/KdQpzUYrlKJ/structure.png?h=300&w=458 "Pregnane-21-carboxylic acid, 17-hydroxy-3-[(trimethylsilyl)oxy]-, .gamma.-lactone, (3.beta.,5.beta.,17.alpha.)-")
