| SpectraBase Spectrum ID |
DIWXU1iVXo0 |
| Name |
3-(7-Acetoxy-4B-methyl-2-oxotetradecahydrophenanthren-1-yl)-propionic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.224974125 u |
| Formula |
C21H32O5 |
| InChI |
InChI=1S/C21H32O5/c1-13(22)26-15-10-11-21(2)14(12-15)4-5-16-17(6-9-20(24)25-3)19(23)8-7-18(16)21/h14-18H,4-12H2,1-3H3 |
| InChIKey |
FJSDNEXWQMXWQG-UHFFFAOYSA-N |
| Molecular Weight |
364.482 g/mol |
| SMILES |
C12CC(OC(C)=O)CCC2(C2C(CC1)C(CCC(=O)OC)C(=O)CC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923546 |
