| SpectraBase Compound ID | 70doZP6bHi7 |
|---|---|
| InChI | InChI=1S/C32H56N4O13S/c1-17-24(40)25(41)28(45-3)31(47-17)49-29-26(42)27(44-2)19(15-37)48-30(29)46-14-8-4-5-10-21(38)33-12-13-34-22(39)11-7-6-9-20-23-18(16-50-20)35-32(43)36-23/h17-20,23-31,37,40-42H,4-16H2,1-3H3,(H,33,38)(H,34,39)(H2,35,36,43)/t17-,18+,19-,20+,23+,24+,25+,26+,27+,28-,29-,30-,31-/m0/s1 |
| InChIKey | DBGHHSRQHBWBBF-DJNYKOOESA-N |
| Mol Weight | 736.9 g/mol |
| Molecular Formula | C32H56N4O13S |
| Exact Mass | 736.356459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KA08xraVnvn |
|---|---|
| Name | DBGHHSRQHBWBBF-DJNYKOOESA-N |
| Compound Number | E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H56N4O13S |
| InChI | InChI=1S/C32H56N4O13S/c1-17-24(40)25(41)28(45-3)31(47-17)49-29-26(42)27(44-2)19(15-37)48-30(29)46-14-8-4-5-10-21(38)33-12-13-34-22(39)11-7-6-9-20-23-18(16-50-20)35-32(43)36-23/h17-20,23-31,37,40-42H,4-16H2,1-3H3,(H,33,38)(H,34,39)(H2,35,36,43)/t17-,18+,19-,20+,23+,24+,25+,26+,27+,28-,29-,30-,31-/m0/s1 |
| InChIKey | DBGHHSRQHBWBBF-DJNYKOOESA-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 | 736.876 g/mol |
| Sample ID | 1344 |
| Solvent | D2O |