| SpectraBase Compound ID | AdyFxBNZoqv |
|---|---|
| InChI | InChI=1S/C54H99O3PS/c1-8-10-12-14-16-17-18-19-20-21-22-23-24-26-28-30-43-56-58(59,55-42-29-27-25-15-13-11-9-2)57-48-38-40-53(6)47(44-48)34-35-49-51-37-36-50(46(5)33-31-32-45(3)4)54(51,7)41-39-52(49)53/h19-20,34,45-46,48-52H,8-18,21-33,35-44H2,1-7H3/b20-19-/t46?,48?,49?,50?,51?,52?,53-,54+,58?/m1/s1 |
| InChIKey | CDZHAEQJTGIQTI-FKLPAONNSA-N |
| Mol Weight | 859.4 g/mol |
| Molecular Formula | C54H99O3PS |
| Exact Mass | 858.705255 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9GmhzKBGBLY |
|---|---|
| Name | CIS-9-OCTADECENE-1-O-(CHOLESTERYL-3-O-)-(NONANE-1-O-)THIOPHOSPHATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C54H99O3PS |
| InChI | InChI=1S/C54H99O3PS/c1-8-10-12-14-16-17-18-19-20-21-22-23-24-26-28-30-43-56-58(59,55-42-29-27-25-15-13-11-9-2)57-48-38-40-53(6)47(44-48)34-35-49-51-37-36-50(46(5)33-31-32-45(3)4)54(51,7)41-39-52(49)53/h19-20,34,45-46,48-52H,8-18,21-33,35-44H2,1-7H3/b20-19-/t46?,48?,49?,50?,51?,52?,53-,54+,58?/m1/s1 |
| InChIKey | CDZHAEQJTGIQTI-FKLPAONNSA-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 |