| SpectraBase Compound ID | KThIdhHqZJ5 |
|---|---|
| InChI | InChI=1S/C24H32O5/c1-14(25)28-13-17-12-22-21-7-5-16-11-18(27-4)6-8-19(16)20(21)9-10-24(22,3)23(17)29-15(2)26/h6,8,11,17,20-23H,5,7,9-10,12-13H2,1-4H3/t17-,20+,21+,22-,23+,24-/m0/s1 |
| InChIKey | UTXJMSGCLVYGFL-UQDMXIALSA-N |
| Mol Weight | 400.5 g/mol |
| Molecular Formula | C24H32O5 |
| Exact Mass | 400.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FWahVV1TCCq |
|---|---|
| Name | 3-METHOXY-16-ALPHA-(HYDROXYMETHYL)-ESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL-DIACETAT |
| Compound Number | 379 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H32O5 |
| InChI | InChI=1S/C24H32O5/c1-14(25)28-13-17-12-22-21-7-5-16-11-18(27-4)6-8-19(16)20(21)9-10-24(22,3)23(17)29-15(2)26/h6,8,11,17,20-23H,5,7,9-10,12-13H2,1-4H3/t17-,20+,21+,22-,23+,24-/m0/s1 |
| InChIKey | UTXJMSGCLVYGFL-UQDMXIALSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 400.515 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW74 |