| SpectraBase Compound ID | KOMRtKEZ7Hu |
|---|---|
| InChI | InChI=1S/C72H125O3PS/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-50-73-76(77,74-59-42-46-69(8)57(51-59)34-36-61-65-40-38-63(55(6)32-28-30-53(2)3)71(65,10)48-44-67(61)69)75-60-43-47-70(9)58(52-60)35-37-62-66-41-39-64(56(7)33-29-31-54(4)5)72(66,11)49-45-68(62)70/h19-20,34-35,53-56,59-68H,12-18,21-33,36-52H2,1-11H3/b20-19-/t55?,56?,59?,60?,61?,62?,63?,64?,65?,66?,67?,68?,69-,70-,71+,72+,76?/m1/s1 |
| InChIKey | AFDDLTJOOTTYHU-CVTRZHDNSA-N |
| Mol Weight | 1101.8 g/mol |
| Molecular Formula | C72H125O3PS |
| Exact Mass | 1100.908706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhODMMZR0BB |
|---|---|
| Name | CIS-9-OCTADECENE-1-O-BIS(CHOLESTERYL-3-O-)THIOPHOSPHATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C72H125O3PS |
| InChI | InChI=1S/C72H125O3PS/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-50-73-76(77,74-59-42-46-69(8)57(51-59)34-36-61-65-40-38-63(55(6)32-28-30-53(2)3)71(65,10)48-44-67(61)69)75-60-43-47-70(9)58(52-60)35-37-62-66-41-39-64(56(7)33-29-31-54(4)5)72(66,11)49-45-68(62)70/h19-20,34-35,53-56,59-68H,12-18,21-33,36-52H2,1-11H3/b20-19-/t55?,56?,59?,60?,61?,62?,63?,64?,65?,66?,67?,68?,69-,70-,71+,72+,76?/m1/s1 |
| InChIKey | AFDDLTJOOTTYHU-CVTRZHDNSA-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 | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C6D6 benzene-d6 |