| SpectraBase Compound ID | 2pWugLvNcSm |
|---|---|
| InChI | InChI=1S/C25H28O2/c1-25-14-13-21-20-10-8-19(27-16-17-5-3-2-4-6-17)15-18(20)7-9-22(21)23(25)11-12-24(25)26/h2-6,8,10,15,21-23H,7,9,11-14,16H2,1H3/t21-,22-,23+,25+/m1/s1 |
| InChIKey | MSINETGATWEUAB-AHCIIZGASA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C25H28O2 |
| Exact Mass | 360.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AcelY9GChbF |
|---|---|
| Name | 3-(Benzyloxy)estra-1,3,5(10)-trien-17-one |
| Alternate Name(s) | (8R,9S,13S,14S)-13-methyl-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (8R,9S,13S,14S)-3-benzoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (8R,9S,13S,14S)-3-benzyloxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| CAS Registry Number | 858-98-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28O2 |
| InChI | InChI=1S/C25H28O2/c1-25-14-13-21-20-10-8-19(27-16-17-5-3-2-4-6-17)15-18(20)7-9-22(21)23(25)11-12-24(25)26/h2-6,8,10,15,21-23H,7,9,11-14,16H2,1H3/t21-,22-,23+,25+/m1/s1 |
| InChIKey | MSINETGATWEUAB-AHCIIZGASA-N |
| Molecular Weight | 360.497 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCc2ccccc2)c4)[H])(CCC1=O)[H])C |
| SPLASH | splash10-0006-9003000000-4730cbbd3b685bc2a6af |
| Source of Spectrum | U-1995-1626-21 |
| Wiley ID | 767641 |