| SpectraBase Compound ID | 6THtDngS1rI |
|---|---|
| InChI | InChI=1S/C29H34O5/c1-17(30)21-9-10-22-20-16-25(31)24-15-18(34-27(32)19-7-5-6-8-26(19)33-4)11-13-29(24,3)23(20)12-14-28(21,22)2/h5-9,15,18,20,22-23H,10-14,16H2,1-4H3/t18-,20-,22-,23-,28+,29+/m0/s1 |
| InChIKey | NPZRIBIYONJLQH-DRCKIXOTSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C29H34O5 |
| Exact Mass | 462.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 182nVfYvsMm |
|---|---|
| Name | 3-BETA-(ORTHO-METHOXYBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE |
| Compound Number | 10B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H34O5 |
| InChI | InChI=1S/C29H34O5/c1-17(30)21-9-10-22-20-16-25(31)24-15-18(34-27(32)19-7-5-6-8-26(19)33-4)11-13-29(24,3)23(20)12-14-28(21,22)2/h5-9,15,18,20,22-23H,10-14,16H2,1-4H3/t18-,20-,22-,23-,28+,29+/m0/s1 |
| InChIKey | NPZRIBIYONJLQH-DRCKIXOTSA-N |
| Literature Reference Author | J.LI,H.LI,Y.LI |
| Literature Reference Citation | CHEM.CENTR.J.,4,18,1(2010) |
| Molecular Weight | 462.586 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11797 |