| SpectraBase Spectrum ID |
6TGd0BuH7Mm |
| Name |
Pregnenolone, 2-methylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.282095081 u |
| Formula |
C25H38O3 |
| InChI |
InChI=1S/C25H38O3/c1-15(2)23(27)28-18-10-12-24(4)17(14-18)6-7-19-21-9-8-20(16(3)26)25(21,5)13-11-22(19)24/h6,15,18-22H,7-14H2,1-5H3/t18-,19-,20+,21-,22-,24-,25+/m0/s1 |
| InChIKey |
UFKGUVWJMUGOHD-SNHSOGDCSA-N |
| Molecular Weight |
386.576 g/mol |
| SMILES |
[C@@]12(C(C[C@](CC2)(OC(C(C)C)=O)[H])=CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC[C@@]1(C(C)=O)[H])[H])C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901161 |
