| SpectraBase Spectrum ID |
8YpeQhrju0k |
| Name |
4-[2-(17-Hydroxy-19-demethyl-3-oxoandrost-4-en-17-yl)ethynyl]benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H30O4 |
| InChI |
InChI=1S/C27H30O4/c1-27-14-12-22-21-9-7-20(28)16-19(21)6-8-23(22)24(27)10-11-25(27)31-15-13-17-2-4-18(5-3-17)26(29)30/h2-5,16,21-25H,6-12,14H2,1H3,(H,29,30) |
| InChIKey |
XPDZMTOYVGYLFH-UHFFFAOYSA-N |
| Molecular Weight |
418.533 g/mol |
| SMILES |
OC(c1ccc(C#COC2C3(C(C4CCC=5C(C4CC3)CCC(=O)C5)CC2)C)cc1)=O |
| SPLASH |
splash10-004i-6891100000-a9fc0111eb1325a3480c |
| Source of Spectrum |
CV-0-175-0 |
| Wiley ID |
849263 |
![4-[2-(17-Hydroxy-19-demethyl-3-oxoandrost-4-en-17-yl)ethynyl]benzoic acid](/api/spectrum/8YpeQhrju0k/structure.png?h=300&w=458 "4-[2-(17-Hydroxy-19-demethyl-3-oxoandrost-4-en-17-yl)ethynyl]benzoic acid")
