| SpectraBase Compound ID | CbEH8kmYPBX |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,10,12,19-21H,4,6,8-9,11H2,1-3H3 |
| InChIKey | UESVTJRTUBOKMJ-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HWjxEu4dbo5 |
|---|---|
| Name | Estra-1,3,5(10),9(11)-tetraene-3,17-diol, diacetate, (17.beta.)- |
| CAS Registry Number | 1169-54-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,10,12,19-21H,4,6,8-9,11H2,1-3H3 |
| InChIKey | UESVTJRTUBOKMJ-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | CC(=O)Oc1ccc2c(c1)CCC1C3CCC(C3(C)CC=C21)OC(C)=O |
| SPLASH | splash10-0ikc-5893000000-7f291f46c0edba7fb805 |
| Source of Spectrum | O-3-783-5 |
| Synonyms | 17-(Acetyloxy)estra-1,3,5(10),9(11)-tetraen-3-yl acetate (3-acetoxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) ethanoate Acetic acid (3-acetoxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) ester Acetic acid (3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) ester Estra-1,3,5(10),9(11)-tetraene-3,17.beta.-diol, diacetate |
| Wiley ID | 52519 |