| SpectraBase Spectrum ID |
At3hssZ8tBX |
| Name |
7.xi.-acetoxy-3-methoxy-9,10-secoestra-1,3,5(10)-triene-9,17-dione |
| Alternate Name(s) |
1-Methoxy-9,17-dioxo-9,10-secoestra-1,3,5(10)-trien-7-yl acetate |
| CAS Registry Number |
116503-15-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O5 |
| InChI |
InChI=1S/C21H26O5/c1-13(22)26-18(12-14-5-4-6-15(11-14)25-3)20-16-7-8-19(24)21(16,2)10-9-17(20)23/h4-6,11,16,18,20H,7-10,12H2,1-3H3 |
| InChIKey |
YHLVIWIENUVOQS-UHFFFAOYSA-N |
| Molecular Weight |
358.434 g/mol |
| SMILES |
C12C(C(=O)CC2)(CCC(C1C(OC(=O)C)Cc1cc(OC)ccc1)=O)C |
| SPLASH |
splash10-0089-9530000000-55cd73a2b8ae94cbfccf |
| Source of Spectrum |
J-53-5537-7 |
| Wiley ID |
1347176 |
