| SpectraBase Compound ID | 85m6sCx05yK |
|---|---|
| InChI | InChI=1S/C40H56O13/c1-8-9-10-11-12-13-14-15-37-51-33-29-32-36(20-41,50-32)34(45)38(46)26(18-24(6)30(38)44)39(29,52-37)25(19-47-27(42)16-22(2)3)31(49-28(43)17-23(4)5)40(33,53-37)35(7)21-48-35/h12-15,18,22-23,25-26,29,31-34,41,45-46H,8-11,16-17,19-21H2,1-7H3/b13-12+,15-14+/t25-,26-,29+,31+,32+,33-,34-,35?,36+,37-,38-,39+,40+/m1/s1 |
| InChIKey | XVYNJBXBKDCQQP-GMFSWMPVSA-N |
| Mol Weight | 744.9 g/mol |
| Molecular Formula | C40H56O13 |
| Exact Mass | 744.372092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QtvJ3vLo16 |
|---|---|
| Name | MAPROUNEACIN |
| Compound Number | 69 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O13 |
| InChI | InChI=1S/C40H56O13/c1-8-9-10-11-12-13-14-15-37-51-33-29-32-36(20-41,50-32)34(45)38(46)26(18-24(6)30(38)44)39(29,52-37)25(19-47-27(42)16-22(2)3)31(49-28(43)17-23(4)5)40(33,53-37)35(7)21-48-35/h12-15,18,22-23,25-26,29,31-34,41,45-46H,8-11,16-17,19-21H2,1-7H3/b13-12+,15-14+/t25-,26-,29+,31+,32+,33-,34-,35?,36+,37-,38-,39+,40+/m1/s1 |
| InChIKey | XVYNJBXBKDCQQP-GMFSWMPVSA-N |
| Literature Reference Author | H.B.WANG,L.P.LIU,X.Y.WANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,580(2013) |
| Literature Reference DOI | 10.1002/mrc.3978 |
| Molecular Weight | 744.877 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13520 |