| SpectraBase Spectrum ID |
KIQ66uFG64U |
| Name |
Methyl 2-[3.beta.-acetoxy-5,7,9-estratrien-17-yl]propionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.230059506 u |
| Formula |
C24H32O4 |
| InChI |
InChI=1S/C24H32O4/c1-14(23(26)27-4)21-9-10-22-20-7-5-16-13-17(28-15(2)25)6-8-18(16)19(20)11-12-24(21,22)3/h5,7,14,17,21-22H,6,8-13H2,1-4H3 |
| InChIKey |
JYZFQWZAULSCKM-UHFFFAOYSA-N |
| Molecular Weight |
384.516 g/mol |
| SMILES |
C1C2=C3CCC(CC3=CC=C2C2C(C1)(C(C(C(=O)OC)C)CC2)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899531 |
![Methyl 2-[3.beta.-acetoxy-5,7,9-estratrien-17-yl]propionate](/api/spectrum/KIQ66uFG64U/structure.png?h=300&w=458 "Methyl 2-[3.beta.-acetoxy-5,7,9-estratrien-17-yl]propionate")
