| SpectraBase Compound ID | IC8sp5o4eDa |
|---|---|
| InChI | InChI=1S/C27H36O7/c1-16(28)32-14-27(15-33-17(2)29)13-24-23-8-6-19-12-20(31-5)7-9-21(19)22(23)10-11-26(24,4)25(27)34-18(3)30/h7,9,12,22-25H,6,8,10-11,13-15H2,1-5H3/t22-,23-,24+,25-,26+/m1/s1 |
| InChIKey | PZJVPLTZXAUDEO-RTJMFUJLSA-N |
| Mol Weight | 472.6 g/mol |
| Molecular Formula | C27H36O7 |
| Exact Mass | 472.246103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AkFVM0dnR3A |
|---|---|
| Name | 3-METHOXY-16,16-BIS-(HYDROXYMETHYL)-ESTRA-1,3,5(10)-TRIEN-17-BETA-YL-TRIACETAT |
| Compound Number | 383 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O7 |
| InChI | InChI=1S/C27H36O7/c1-16(28)32-14-27(15-33-17(2)29)13-24-23-8-6-19-12-20(31-5)7-9-21(19)22(23)10-11-26(24,4)25(27)34-18(3)30/h7,9,12,22-25H,6,8,10-11,13-15H2,1-5H3/t22-,23-,24+,25-,26+/m1/s1 |
| InChIKey | PZJVPLTZXAUDEO-RTJMFUJLSA-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 | 472.579 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW70 |