| SpectraBase Compound ID | 7ra93Cph6X2 |
|---|---|
| InChI | InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21-,22-,23+,24-,25-,26-,29+,30-,31-,32-/m1/s1 |
| InChIKey | MYKPKZPRXSYQEQ-UAANJWTASA-N |
| Mol Weight | 502.8 g/mol |
| Molecular Formula | C32H54O4 |
| Exact Mass | 502.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9oCHkar7gHW |
|---|---|
| Name | CABRALEADIOL-MONOACETYL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H54O4 |
| InChI | InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21-,22-,23+,24-,25-,26-,29+,30-,31-,32-/m1/s1 |
| InChIKey | MYKPKZPRXSYQEQ-UAANJWTASA-N |
| Literature Reference Author | P.H.J.BATISTA,J.R.M.D.ANDRADE,T.S.MATOS,T.D.S.SOUSA,F.D.C.L. PINTO,E.R.SILVEIRA |
| Literature Reference Citation | QUIM.NOVA,37,1010(2014) |
| Molecular Weight | 502.778 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11964 |