| SpectraBase Compound ID | 4GypnyXnfvz |
|---|---|
| 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+/m0/s1 |
| InChIKey | MYKPKZPRXSYQEQ-GWQQFBSOSA-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 | 56y7uRK1MtM |
|---|---|
| Name | CABrALEADIOL-MONOACETATE |
| Compound Number | 2A |
| 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+/m0/s1 |
| InChIKey | MYKPKZPRXSYQEQ-GWQQFBSOSA-N |
| Literature Reference Author | A.HISHAM,M.D.A.BAI,Y.FUJIMOTO,N.HARA,H.SHIMADA |
| Literature Reference Citation | MAGN.RES.CHEM.,34,146(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199602)34:2<146::aid-omr850>3.0.co;2-u |
| Molecular Weight | 502.778 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2243 |