| SpectraBase Spectrum ID |
7n4ezwe0edT |
| Name |
Pregn-5-en-20-one, 3-(1,1-dimethylethoxy)-, (3.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.302830526 u |
| Formula |
C25H40O2 |
| InChI |
InChI=1S/C25H40O2/c1-16(26)20-9-10-21-19-8-7-17-15-18(27-23(2,3)4)11-13-24(17,5)22(19)12-14-25(20,21)6/h7,18-22H,8-15H2,1-6H3/t18-,19-,20+,21-,22-,24-,25+/m0/s1 |
| InChIKey |
WMBSGUHXUZAFHO-SNHSOGDCSA-N |
| Molecular Weight |
372.593 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(C)(C)C)(C4)[H])C)[H])(CC[C@@]1(C(=O)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918145 |
