| SpectraBase Compound ID | CNC4dzEJatH |
|---|---|
| InChI | InChI=1S/C29H45N2O12P/c1-29(2,3)43-28(36)31-22(25(33)39-5)15-11-14-21(24(32)38-4)19-44(37,41-7)17-16-23(26(34)40-6)30-27(35)42-18-20-12-9-8-10-13-20/h8-10,12-13,21-23H,11,14-19H2,1-7H3,(H,30,35)(H,31,36)/t21?,22-,23-,44?/m1/s1 |
| InChIKey | AXIPQUQRKRYMSH-KINTUGQGSA-N |
| Mol Weight | 644.7 g/mol |
| Molecular Formula | C29H45N2O12P |
| Exact Mass | 644.271012 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WutTV7PJsB |
|---|---|
| Name | ISOMER_1 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H45N2O12P |
| InChI | InChI=1S/C29H45N2O12P/c1-29(2,3)43-28(36)31-22(25(33)39-5)15-11-14-21(24(32)38-4)19-44(37,41-7)17-16-23(26(34)40-6)30-27(35)42-18-20-12-9-8-10-13-20/h8-10,12-13,21-23H,11,14-19H2,1-7H3,(H,30,35)(H,31,36)/t21?,22-,23-,44?/m1/s1 |
| InChIKey | AXIPQUQRKRYMSH-KINTUGQGSA-N |
| Literature Reference Author | B.ZENG,K.K.WONG,D.L.POMPLIANO,S.REDDY,M.E.TANNER |
| Literature Reference Citation | J.ORG.CHEM.,63,10081(1998) |
| Literature Reference DOI | 10.1021/jo981895p |
| Solvent | CDCl3 |
| Source File Reference | UWMZ26095 |