| SpectraBase Compound ID | 6ZyOb87kSM4 |
|---|---|
| InChI | InChI=1S/C40H69N5O18S/c1-19-29(51)31(53)35(57-4)38(59-19)63-36-32(54)33(56-3)23(17-47)61-39(36)62-34-28(43-20(2)48)37(60-22(16-46)30(34)52)58-15-9-5-6-11-25(49)41-13-14-42-26(50)12-8-7-10-24-27-21(18-64-24)44-40(55)45-27/h19,21-24,27-39,46-47,51-54H,5-18H2,1-4H3,(H,41,49)(H,42,50)(H,43,48)(H2,44,45,55)/t19-,21+,22-,23-,24+,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+/m0/s1 |
| InChIKey | SUYJOJBUWJNWDY-NDGRPEGESA-N |
| Mol Weight | 940.1 g/mol |
| Molecular Formula | C40H69N5O18S |
| Exact Mass | 939.435832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7X3hlItQP69 |
|---|---|
| Name | SUYJOJBUWJNWDY-NDGRPEGESA-N |
| Compound Number | A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H69N5O18S |
| InChI | InChI=1S/C40H69N5O18S/c1-19-29(51)31(53)35(57-4)38(59-19)63-36-32(54)33(56-3)23(17-47)61-39(36)62-34-28(43-20(2)48)37(60-22(16-46)30(34)52)58-15-9-5-6-11-25(49)41-13-14-42-26(50)12-8-7-10-24-27-21(18-64-24)44-40(55)45-27/h19,21-24,27-39,46-47,51-54H,5-18H2,1-4H3,(H,41,49)(H,42,50)(H,43,48)(H2,44,45,55)/t19-,21+,22-,23-,24+,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+/m0/s1 |
| InChIKey | SUYJOJBUWJNWDY-NDGRPEGESA-N |
| Literature Reference Author | A.KOIZUMI,K.YAMANO,T.TSUCHIYA,F.SCHWEIZER,F.KIUCHI,N.HADA |
| Literature Reference Citation | MOLECULES,17,9023(2012) |
| Literature Reference DOI | 10.3390/molecules17089023 |
| Molecular Weight | 940.071 g/mol |
| Sample ID | 1321 |
| Solvent | D2O |