| SpectraBase Spectrum ID |
9mRAJ3d9vaA |
| Name |
Pregnan-3-ol, 20-methyl-, (3.beta.,5.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.292265843 u |
| Formula |
C22H38O |
| InChI |
InChI=1S/C22H38O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h14-20,23H,5-13H2,1-4H3/t15-,16+,17+,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey |
JUWNKDSIYSVDGY-ABZOQCAJSA-N |
| Molecular Weight |
318.545 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])[H])(CC[C@@]1(C(C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936453 |
