| SpectraBase Compound ID | 3Mt9velUx3W |
|---|---|
| InChI | InChI=1S/C23H32O5/c1-3-27-14-28-16-5-7-17-15(12-16)4-6-19-18(17)8-10-22(2)20(19)9-11-23(22,26)13-21(24)25/h5,7,12,18-20,26H,3-4,6,8-11,13-14H2,1-2H3,(H,24,25)/t18-,19-,20+,22+,23-/m1/s1 |
| InChIKey | ZZESTZQPLMCDDK-BQLVWXCYSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C23H32O5 |
| Exact Mass | 388.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HxniuuSitqo |
|---|---|
| Name | 3-O-Ethoxymethyl-17.alpha.-carboxymethyl-17.beta.-estradiol |
| Alternate Name(s) | [(17beta)-3-(ethoxymethoxy)-17-hydroxyestra-1,3,5(10)-trien-17-yl]acetic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H32O5 |
| InChI | InChI=1S/C23H32O5/c1-3-27-14-28-16-5-7-17-15(12-16)4-6-19-18(17)8-10-22(2)20(19)9-11-23(22,26)13-21(24)25/h5,7,12,18-20,26H,3-4,6,8-11,13-14H2,1-2H3,(H,24,25)/t18-,19-,20+,22+,23-/m1/s1 |
| InChIKey | ZZESTZQPLMCDDK-BQLVWXCYSA-N |
| Molecular Weight | 388.504 g/mol |
| SMILES | OC(C[C@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCOCC)c4)[H])(CC1)[H])C)O)=O |
| SPLASH | splash10-0a4i-9000000000-accfbad179378b8f0ee8 |
| Source of Spectrum | KD-12-807-3 |
| Wiley ID | 1634308 |