| SpectraBase Compound ID | ELeKWKg01we |
|---|---|
| InChI | InChI=1S/C31H53O3PS/c1-21(2)8-7-9-22(3)27-12-13-28-26-11-10-24-20-25(34-35(36)32-19-16-23(4)33-35)14-17-30(24,5)29(26)15-18-31(27,28)6/h10,21-23,25-29H,7-9,11-20H2,1-6H3/t22?,23?,25?,26?,27?,28?,29?,30-,31+,35?/m1/s1 |
| InChIKey | UJXBKCDHYWDJQX-NUMPXTJPSA-N |
| Mol Weight | 536.8 g/mol |
| Molecular Formula | C31H53O3PS |
| Exact Mass | 536.345304 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ASrFbzTfxB |
|---|---|
| Name | 2-(CHOLESTERYL-3-O-)-1,3-BUTYLENETHIOPHOSPHATE |
| Comments | , TWO ISOMERS |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H53O3PS |
| InChI | InChI=1S/C31H53O3PS/c1-21(2)8-7-9-22(3)27-12-13-28-26-11-10-24-20-25(34-35(36)32-19-16-23(4)33-35)14-17-30(24,5)29(26)15-18-31(27,28)6/h10,21-23,25-29H,7-9,11-20H2,1-6H3/t22?,23?,25?,26?,27?,28?,29?,30-,31+,35?/m1/s1 |
| InChIKey | UJXBKCDHYWDJQX-NUMPXTJPSA-N |
| Instrument Name | Bruker AM-400 |
| Literature Reference | S.D.STAMATOV, S.A.IVANOV (1989) Phosphorus and Sulfur: v.45, N1, 73-79. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C6D6 benzene-d6 |