![TRYPTAMINE-PHOSPHOPANTETHINE-BIS-[(PIVALOYLOXY)-METHYL]-ESTER;ENTRY-#7](/api/spectrum/8fzvb21g3IE/structure.png?h=300&w=458 "TRYPTAMINE-PHOSPHOPANTETHINE-BIS-[(PIVALOYLOXY)-METHYL]-ESTER;ENTRY-#7")
| SpectraBase Compound ID | Jye66vfgUjt |
|---|---|
| InChI | InChI=1S/C35H55N4O12PS/c1-33(2,3)31(44)47-22-50-52(46,51-23-48-32(45)34(4,5)6)49-21-35(7,8)29(42)30(43)38-16-14-27(40)37-17-18-53-20-28(41)36-15-13-24-19-39-26-12-10-9-11-25(24)26/h9-12,19,29,39,42H,13-18,20-23H2,1-8H3,(H,36,41)(H,37,40)(H,38,43)/t29-/m0/s1 |
| InChIKey | FCIRQAKMEXKRKD-LJAQVGFWSA-N |
| Mol Weight | 786.9 g/mol |
| Molecular Formula | C35H55N4O12PS |
| Exact Mass | 786.327481 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fzvb21g3IE |
|---|---|
| Name | TRYPTAMINE-PHOSPHOPANTETHINE-BIS-[(PIVALOYLOXY)-METHYL]-ESTER;ENTRY-#7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H55N4O12PS |
| InChI | InChI=1S/C35H55N4O12PS/c1-33(2,3)31(44)47-22-50-52(46,51-23-48-32(45)34(4,5)6)49-21-35(7,8)29(42)30(43)38-16-14-27(40)37-17-18-53-20-28(41)36-15-13-24-19-39-26-12-10-9-11-25(24)26/h9-12,19,29,39,42H,13-18,20-23H2,1-8H3,(H,36,41)(H,37,40)(H,38,43)/t29-/m0/s1 |
| InChIKey | FCIRQAKMEXKRKD-LJAQVGFWSA-N |
| Literature Reference Author | Y.HWANG,P.A.COLE |
| Literature Reference Citation | ORG.LETTERS,6,1555(2004) |
| Literature Reference DOI | 10.1021/ol049714v |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI38995 |