| SpectraBase Compound ID | 2Z1Kk1Cd5Qs |
|---|---|
| InChI | InChI=1S/C47H73N7O24S3/c1-20(55)68-18-30-36(70-22(3)57)38(72-24(5)59)40(74-26(7)61)42(76-30)53-46(80)49-15-28(52-32(63)13-11-10-12-14-48-45(79)51-17-29-33(64)34(65)35(66)44(67-9)78-29)16-50-47(81)54-43-41(75-27(8)62)39(73-25(6)60)37(71-23(4)58)31(77-43)19-69-21(2)56/h28-31,33-44,64-66H,10-19H2,1-9H3,(H,52,63)(H2,48,51,79)(H2,49,53,80)(H2,50,54,81)/t28?,29-,30-,31-,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+/m0/s1 |
| InChIKey | BERDSYUMWBSLSS-QWHVTBFVSA-N |
| Mol Weight | 1216.3 g/mol |
| Molecular Formula | C47H73N7O24S3 |
| Exact Mass | 1215.38691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVVEp7bCmhU |
|---|---|
| Name | BERDSYUMWBSLSS-QWHVTBFVSA-N |
| Compound Number | 50 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H73N7O24S3 |
| InChI | InChI=1S/C47H73N7O24S3/c1-20(55)68-18-30-36(70-22(3)57)38(72-24(5)59)40(74-26(7)61)42(76-30)53-46(80)49-15-28(52-32(63)13-11-10-12-14-48-45(79)51-17-29-33(64)34(65)35(66)44(67-9)78-29)16-50-47(81)54-43-41(75-27(8)62)39(73-25(6)60)37(71-23(4)58)31(77-43)19-69-21(2)56/h28-31,33-44,64-66H,10-19H2,1-9H3,(H,52,63)(H2,48,51,79)(H2,49,53,80)(H2,50,54,81)/t28?,29-,30-,31-,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+/m0/s1 |
| InChIKey | BERDSYUMWBSLSS-QWHVTBFVSA-N |
| Literature Reference Author | J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10355(2004) |
| Literature Reference DOI | 10.1021/ja047864v |
| Molecular Weight | 1216.309 g/mol |
| Sample ID | 27892 |
| Solvent | CD3OD |