| SpectraBase Compound ID | 7alMeFJeFU0 |
|---|---|
| InChI | InChI=1S/C66H106NO3P/c1-44(2)18-16-20-47(7)56-28-30-58-54-26-24-50-40-52(32-36-63(50,9)60(54)34-38-65(56,58)11)69-71(68-43-62(46(5)6)67-42-49-22-14-13-15-23-49)70-53-33-37-64(10)51(41-53)25-27-55-59-31-29-57(48(8)21-17-19-45(3)4)66(59,12)39-35-61(55)64/h13-15,22-25,42,44-48,52-62H,16-21,26-41,43H2,1-12H3/b67-42+/t47-,48-,52+,53+,54?,55?,56-,57-,58?,59?,60?,61?,62+,63+,64+,65-,66-,71?/m1/s1 |
| InChIKey | YMBYWTLEBHCHGP-MKONXDRPSA-N |
| Mol Weight | 992.6 g/mol |
| Molecular Formula | C66H106NO3P |
| Exact Mass | 991.791033 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JhcPHoRa7pp |
|---|---|
| Name | (2'R)-2-(N'-Benzylideneamino)-3'-methylbutyldicholesterylphosphite |
| Alternate Name(s) | bis(2R,5S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl (2R)-3-methyl-2-[(E)-(phenylmethylidene)amino]butyl phosphite |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C66H106NO3P |
| InChI | InChI=1S/C66H106NO3P/c1-44(2)18-16-20-47(7)56-28-30-58-54-26-24-50-40-52(32-36-63(50,9)60(54)34-38-65(56,58)11)69-71(68-43-62(46(5)6)67-42-49-22-14-13-15-23-49)70-53-33-37-64(10)51(41-53)25-27-55-59-31-29-57(48(8)21-17-19-45(3)4)66(59,12)39-35-61(55)64/h13-15,22-25,42,44-48,52-62H,16-21,26-41,43H2,1-12H3/b67-42+/t47-,48-,52+,53+,54?,55?,56-,57-,58?,59?,60?,61?,62+,63+,64+,65-,66-,71?/m1/s1 |
| InChIKey | YMBYWTLEBHCHGP-MKONXDRPSA-N |
| Molecular Weight | 992.552 g/mol |
| SMILES | [C@]12(C(C3CC=C4[C@@](C3CC1)(CC[C@](OP(O[C@@]1(CC3=CCC5C6[C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC6)[H])(C)CCC5[C@]3(CC1)C)[H])OC[C@](\N=C\c1ccccc1)(C(C)C)[H])(C4)[H])C)CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-014i-0009000000-551f8e1970d07fdab936 |
| Source of Spectrum | KD-12-2201-5 |
| Wiley ID | 1634678 |