| SpectraBase Spectrum ID |
74Ofw1UoRVD |
| Name |
Pregna-5,7-dien-20-one, 3-hydroxy-, (3.beta.,9.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.224580204 u |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,15,17-19,23H,6-12H2,1-3H3/t15-,17+,18-,19+,20-,21+/m0/s1 |
| InChIKey |
QTVNPWWLYMFLEI-PNNDDZTBSA-N |
| Molecular Weight |
314.469 g/mol |
| SMILES |
[C@]1(CC[C@@]2(C)C(C1)=CC=C1[C@@]3(CC[C@@]([C@@]3(C)CC[C@@]21[H])(C(C)=O)[H])[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873707 |
