| SpectraBase Spectrum ID |
ARL2EiYS9nf |
| Name |
Estra-1,3,5(10),9(11)-tetraen-17-one, 1,4-dimethoxy-14-methyl- |
| CAS Registry Number |
107648-12-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O3 |
| InChI |
InChI=1S/C21H26O3/c1-20-12-10-18(22)21(20,2)11-9-13-15(20)6-5-14-16(23-3)7-8-17(24-4)19(13)14/h7-9,15H,5-6,10-12H2,1-4H3/t15-,20?,21-/m1/s1 |
| InChIKey |
DGGKTVNSVQOZDH-SSKADXOYSA-N |
| Molecular Weight |
326.436 g/mol |
| SMILES |
C1=2[C@](C3(CCC([C@]3(CC2)C)=O)C)(CCc2c1c(ccc2OC)OC)[H] |
| SPLASH |
splash10-004i-0019000000-956a07140d849d97cf3e |
| Source of Spectrum |
F-42-3450-12 |
| Synonyms |
1,4-Dimethoxy-14-methylestra-1,3,5(10),9(11)-tetraen-17-one |
| Wiley ID |
1325102 |
