| SpectraBase Compound ID | 7KsZSaPkVH4 |
|---|---|
| InChI | InChI=1S/C22H28O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)27-13(2)24)17(16)11-20(25)18(15)10-14/h4-5,10,16-17,19-21,25H,6-9,11H2,1-3H3 |
| InChIKey | SHWVWHAERNGDIE-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 | 4vIepUD4Joz |
|---|---|
| Name | Estra-1(10),2,4-triene-3,6,17-triol, 3,17-diacetate |
| Alternate Name(s) | 6-Hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl diacetate 6-Hydroxyestra-1(10),2,4-triene-3,17-diyl diacetate Acetic acid (3-acetyloxy-6-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester (3-acetyloxy-6-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetoxy-6-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-13-methyl-6-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O5 |
| InChI | InChI=1S/C22H28O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)27-13(2)24)17(16)11-20(25)18(15)10-14/h4-5,10,16-17,19-21,25H,6-9,11H2,1-3H3 |
| InChIKey | SHWVWHAERNGDIE-UHFFFAOYSA-N |
| Molecular Weight | 372.461 g/mol |
| SMILES | OC1CC2C3CCC(OC(C)=O)C3(CCC2c2c1cc(OC(C)=O)cc2)C |
| SPLASH | splash10-03du-6955000000-b711243f37bf0a91b38e |
| Source of Spectrum | JX-2015-3-1540 |
| Wiley ID | 1725024 |