| SpectraBase Compound ID | EnCCduSFMob |
|---|---|
| InChI | InChI=1S/C23H28O6/c1-12(24)28-20-9-14-5-6-16-15(17(14)10-19(20)27-4)7-8-23(3)18(16)11-21(22(23)26)29-13(2)25/h9-10,15-16,18,21H,5-8,11H2,1-4H3 |
| InChIKey | TXSQFLFBOJONHM-UHFFFAOYSA-N |
| Mol Weight | 400.47 g/mol |
| Molecular Formula | C23H28O6 |
| Exact Mass | 400.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 83fRHOocpzx |
|---|---|
| Name | Estra-1,3,5(10)-trien-17-one, 3,16-bis(acetyloxy)-2-methoxy-, (16.alpha.)- |
| CAS Registry Number | 51477-86-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28O6 |
| InChI | InChI=1S/C23H28O6/c1-12(24)28-20-9-14-5-6-16-15(17(14)10-19(20)27-4)7-8-23(3)18(16)11-21(22(23)26)29-13(2)25/h9-10,15-16,18,21H,5-8,11H2,1-4H3 |
| InChIKey | TXSQFLFBOJONHM-UHFFFAOYSA-N |
| Molecular Weight | 400.471 g/mol |
| SMILES | CC(=O)Oc1cc2CCC3C(CCC4(C)C3CC(C4=O)OC(C)=O)c2cc1OC |
| SPLASH | splash10-0a4i-0911000000-e2914713ed40a024aa8a |
| Source of Spectrum | V-21-127-1 |
| Synonyms | 16-(Acetyloxy)-2-methoxy-17-oxoestra-1,3,5(10)-trien-3-yl acetate (3-acetoxy-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl) acetate (3-acetyloxy-2-methoxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl) ethanoate (3-acetyloxy-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl) acetate Acetic acid (3-acetoxy-17-keto-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl) ester Acetic acid (3-acetyloxy-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl) ester |
| Wiley ID | 1369462 |