| SpectraBase Compound ID | HLW5WPnYCQ6 |
|---|---|
| InChI | InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1/i7D2,11D2 |
| InChIKey | XIIAYQZJNBULGD-PLBDYWGGSA-N |
| Mol Weight | 376.7 g/mol |
| Molecular Formula | C27H442H4 |
| Exact Mass | 376.400709 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Mbw6STTLAi |
|---|---|
| Name | 2,2,4,4-D4-CHOLESTANE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H442H4 |
| InChI | InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1/i7D2,11D2 |
| InChIKey | XIIAYQZJNBULGD-PLBDYWGGSA-N |
| Literature Reference Author | M.G.D.MIRANDA,A.L.M.ALBERT,J.N.CARDOSO,R.S.C.LOPES,C.C.LOPES |
| Literature Reference Citation | QUIM.NOVA,36,1160(2013) |
| Literature Reference DOI | 10.1590/s0100-40422013000800014 |
| Molecular Weight | 376.703 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR12035 |