| SpectraBase Compound ID | IK30r2aG9Dv |
|---|---|
| InChI | InChI=1S/C28H31ClO4/c1-16(30)20-8-9-21-19-15-25(31)23-14-17(33-26(32)18-6-4-5-7-24(18)29)10-12-28(23,3)22(19)11-13-27(20,21)2/h4-8,14,17,19,21-22H,9-13,15H2,1-3H3/t17-,19-,21-,22-,27+,28+/m0/s1 |
| InChIKey | KITPWIXHUFXROJ-BZDKXIPQSA-N |
| Mol Weight | 467.01 g/mol |
| Molecular Formula | C28H31ClO4 |
| Exact Mass | 466.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CBDq3ROPLaf |
|---|---|
| Name | 3-BETA-(ORTHO-CHLOROBENZOYLOXY)-PREGNA-4,16-DIENE-6,20-DIONE |
| Compound Number | 10I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H31ClO4 |
| InChI | InChI=1S/C28H31ClO4/c1-16(30)20-8-9-21-19-15-25(31)23-14-17(33-26(32)18-6-4-5-7-24(18)29)10-12-28(23,3)22(19)11-13-27(20,21)2/h4-8,14,17,19,21-22H,9-13,15H2,1-3H3/t17-,19-,21-,22-,27+,28+/m0/s1 |
| InChIKey | KITPWIXHUFXROJ-BZDKXIPQSA-N |
| Literature Reference Author | J.LI,H.LI,Y.LI |
| Literature Reference Citation | CHEM.CENTR.J.,4,18,1(2010) |
| Molecular Weight | 467.005 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11804 |