| SpectraBase Compound ID | 6OLmsCK7qk4 |
|---|---|
| InChI | InChI=1S/C32H55N7O15/c1-14(26(44)36-16(3)30(48)49)35-29(47)19(9-7-8-12-33)38-22(42)11-10-20(31(50)51)39-27(45)15(2)34-28(46)17(4)53-25-23(37-18(5)41)32(52-6)54-21(13-40)24(25)43/h14-17,19-21,23-25,32,40,43H,7-13,33H2,1-6H3,(H,34,46)(H,35,47)(H,36,44)(H,37,41)(H,38,42)(H,39,45)(H,48,49)(H,50,51)/t14-,15+,16-,17+,19+,20-,21+,23+,24+,25+,32+/m0/s1 |
| InChIKey | JXJKEMJZBRKQFW-CAVGAOTLSA-N |
| Mol Weight | 777.8 g/mol |
| Molecular Formula | C32H55N7O15 |
| Exact Mass | 777.375614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IzJ8RH7oryB |
|---|---|
| Name | JXJKEMJZBRKQFW-CAVGAOTLSA-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H55N7O15 |
| InChI | InChI=1S/C32H55N7O15/c1-14(26(44)36-16(3)30(48)49)35-29(47)19(9-7-8-12-33)38-22(42)11-10-20(31(50)51)39-27(45)15(2)34-28(46)17(4)53-25-23(37-18(5)41)32(52-6)54-21(13-40)24(25)43/h14-17,19-21,23-25,32,40,43H,7-13,33H2,1-6H3,(H,34,46)(H,35,47)(H,36,44)(H,37,41)(H,38,42)(H,39,45)(H,48,49)(H,50,51)/t14-,15+,16-,17+,19+,20-,21+,23+,24+,25+,32+/m0/s1 |
| InChIKey | JXJKEMJZBRKQFW-CAVGAOTLSA-N |
| Literature Reference Author | D.HESEK,M.SUVOROV,K.MORIO,M.LEE,S.BROWN,S.B.VAKULENKO,S.MOBA SHERY |
| Literature Reference Citation | J.ORG.CHEM.,69,778(2004) |
| Literature Reference DOI | 10.1021/jo035397e |
| Molecular Weight | 777.827 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN21545 |