| SpectraBase Compound ID | 4iU2sFQYXqx |
|---|---|
| InChI | InChI=1S/C22H28O5/c1-12(23)26-15-5-7-16-14(10-15)4-6-18-17(16)8-9-22(3)20(27-13(2)24)11-19(25)21(18)22/h5,7,10,17-21,25H,4,6,8-9,11H2,1-3H3 |
| InChIKey | ADIAAYUXYXFOEM-UHFFFAOYSA-N |
| Mol Weight | 372.46 g/mol |
| Molecular Formula | C22H28O5 |
| Exact Mass | 372.193674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AV8lrs7vYip |
|---|---|
| Name | 17-(Acetyloxy)-15-hydroxyestra-1,3,5(10)-trien-3-yl acetate |
| CAS Registry Number | 78020-06-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O5 |
| InChI | InChI=1S/C22H28O5/c1-12(23)26-15-5-7-16-14(10-15)4-6-18-17(16)8-9-22(3)20(27-13(2)24)11-19(25)21(18)22/h5,7,10,17-21,25H,4,6,8-9,11H2,1-3H3 |
| InChIKey | ADIAAYUXYXFOEM-UHFFFAOYSA-N |
| Molecular Weight | 372.461 g/mol |
| SMILES | OC1CC(C2(C)CCC3c4ccc(cc4CCC3C12)OC(C)=O)OC(C)=O |
| SPLASH | splash10-001i-0579000000-a794b2c56161c7b111be |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | (3-acetoxy-15-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-13-methyl-15-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate (3-acetyloxy-15-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate Acetic acid (3-acetoxy-15-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester Acetic acid (3-acetyloxy-15-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester Estra-1,3,5(10)-triene-3,15,17-triol, 3,17-diacetate, (15.beta.,17.beta.)- |
| Wiley ID | 1355580 |