| SpectraBase Spectrum ID |
IGQVrVZmkR |
| Name |
3-Methoxy-8,14-seco-6-oxaestra-1,3,5(10),8-tetraen-7,14,17-trione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.115423675 u |
| Formula |
C18H18O5 |
| InChI |
InChI=1S/C18H18O5/c1-18(15(19)5-6-16(18)20)8-7-11-9-17(21)23-14-10-12(22-2)3-4-13(11)14/h3-4,9-10H,5-8H2,1-2H3 |
| InChIKey |
VZLGBQRUNGUCBC-UHFFFAOYSA-N |
| Molecular Weight |
314.337 g/mol |
| SMILES |
C1(C(CCC1=O)=O)(CCC=1C2=C(C=C(C=C2)OC)OC(C1)=O)C |
