| SpectraBase Compound ID | 6iKielsGNRt |
|---|---|
| InChI | InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27?,28+,29+,30-,31-,32+,33+,34-/m1/s1 |
| InChIKey | UIRKNQLZZXALBI-GSDBPZLUSA-N |
| Mol Weight | 628.0 g/mol |
| Molecular Formula | C34H65N3O5S |
| Exact Mass | 627.464493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iNjUvqTfYr |
|---|---|
| Name | SQUALAMINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H65N3O5S |
| InChI | InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27?,28+,29+,30-,31-,32+,33+,34-/m1/s1 |
| InChIKey | UIRKNQLZZXALBI-GSDBPZLUSA-N |
| Literature Reference Author | M.N.RAO,A.E.SHINNAR,L.A.NOECKER,T.L.CHAO,B.FEIBUSH,B.SNYDER, I.SHARKANSKY,X.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,63,631(2000) |
| Literature Reference DOI | 10.1021/np990514f |
| Molecular Weight | 627.967 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS25475 |