| SpectraBase Compound ID | 4XW7sgpcmQ9 |
|---|---|
| InChI | InChI=1S/C25H36O8/c1-25-8-7-13-14(4-3-12-9-17(27)18(31-2)10-15(12)13)16(25)5-6-20(25)33-24-23(30)22(29)21(28)19(11-26)32-24/h9-10,13-14,16,19-24,26-30H,3-8,11H2,1-2H3/t13-,14+,16-,19+,20-,21+,22-,23+,24-,25?/m0/s1 |
| InChIKey | OWWZSECCBKPQMZ-NYHYCUKMSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C25H36O8 |
| Exact Mass | 464.241018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5A1bWQLJIX |
|---|---|
| Name | 2-METHOXYESTRADIOL_17-O-BETA-D-GLUCOSIDE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O8 |
| InChI | InChI=1S/C25H36O8/c1-25-8-7-13-14(4-3-12-9-17(27)18(31-2)10-15(12)13)16(25)5-6-20(25)33-24-23(30)22(29)21(28)19(11-26)32-24/h9-10,13-14,16,19-24,26-30H,3-8,11H2,1-2H3/t13-,14+,16-,19+,20-,21+,22-,23+,24-,25?/m0/s1 |
| InChIKey | OWWZSECCBKPQMZ-NYHYCUKMSA-N |
| Literature Reference Author | M.ZHOU,A.HAMZA,C.G.ZHAN,J.S.THORSON |
| Literature Reference Citation | J.NAT.PROD.,76,279(2013) |
| Literature Reference DOI | 10.1021/np300890h |
| Molecular Weight | 464.556 g/mol |
| Sample ID | 42230 |
| Solvent | Unknown |