| SpectraBase Compound ID | KCEK2kF37z4 |
|---|---|
| InChI | InChI=1S/C42H54N5O6PS/c1-28(2)34-26-52-39(45-34)29(3)43-37(48)33(25-30-17-10-7-11-18-30)44-38(49)36-23-16-24-47(36)40(50)35(46-41(51)53-42(4,5)6)27-54(55,31-19-12-8-13-20-31)32-21-14-9-15-22-32/h7-15,17-22,28-29,33-36H,16,23-27H2,1-6H3,(H,43,48)(H,44,49)(H,46,51)/t29-,33+,34-,35+,36+/m1/s1 |
| InChIKey | PLSMTYCADGFDQC-OPHMVDJMSA-N |
| Mol Weight | 788.0 g/mol |
| Molecular Formula | C42H54N5O6PS |
| Exact Mass | 787.353243 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8hXfxBfDX2G |
|---|---|
| Name | MINOR-ISOMER |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54N5O6PS |
| InChI | InChI=1S/C42H54N5O6PS/c1-28(2)34-26-52-39(45-34)29(3)43-37(48)33(25-30-17-10-7-11-18-30)44-38(49)36-23-16-24-47(36)40(50)35(46-41(51)53-42(4,5)6)27-54(55,31-19-12-8-13-20-31)32-21-14-9-15-22-32/h7-15,17-22,28-29,33-36H,16,23-27H2,1-6H3,(H,43,48)(H,44,49)(H,46,51)/t29-,33+,34-,35+,36+/m1/s1 |
| InChIKey | PLSMTYCADGFDQC-OPHMVDJMSA-N |
| Literature Reference Author | S.R.GILBERTSON,P.LAN |
| Literature Reference Citation | ORG.LETTERS,3,2237(2001) |
| Literature Reference DOI | 10.1021/ol0161256 |
| Solvent | CDCl3 |
| Source File Reference | UWSI26949 |