| SpectraBase Compound ID | HYEAomuIWFg |
|---|---|
| InChI | InChI=1S/C31H57N7O16S3/c1-51-28-25(50)22(47)17(42)13(54-28)9-35-29(55)32-6-4-2-3-5-16(41)36-12(7-33-30(56)37-26-23(48)20(45)18(43)14(10-39)52-26)8-34-31(57)38-27-24(49)21(46)19(44)15(11-40)53-27/h12-15,17-28,39-40,42-50H,2-11H2,1H3,(H,36,41)(H2,32,35,55)(H2,33,37,56)(H2,34,38,57)/t12?,13-,14-,15+,17-,18-,19+,20+,21-,22+,23+,24+,25-,26+,27-,28+/m1/s1 |
| InChIKey | XQQAYYCRUUAMKB-UUFNLWAFSA-N |
| Mol Weight | 880.0 g/mol |
| Molecular Formula | C31H57N7O16S3 |
| Exact Mass | 879.302392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lfv10AptnS9 |
|---|---|
| Name | XQQAYYCRUUAMKB-UUFNLWAFSA-N |
| Compound Number | 34 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H57N7O16S3 |
| InChI | InChI=1S/C31H57N7O16S3/c1-51-28-25(50)22(47)17(42)13(54-28)9-35-29(55)32-6-4-2-3-5-16(41)36-12(7-33-30(56)37-26-23(48)20(45)18(43)14(10-39)52-26)8-34-31(57)38-27-24(49)21(46)19(44)15(11-40)53-27/h12-15,17-28,39-40,42-50H,2-11H2,1H3,(H,36,41)(H2,32,35,55)(H2,33,37,56)(H2,34,38,57)/t12?,13-,14-,15+,17-,18-,19+,20+,21-,22+,23+,24+,25-,26+,27-,28+/m1/s1 |
| InChIKey | XQQAYYCRUUAMKB-UUFNLWAFSA-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 | 880.011 g/mol |
| Sample ID | 27893 |
| Solvent | D2O |