| SpectraBase Compound ID | BkiPB9luqTn |
|---|---|
| InChI | InChI=1S/C50H91NO9/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-48(59-44(5)54)50(56)51-46(41-57-42(3)52)49(60-45(6)55)47(58-43(4)53)39-37-35-33-31-29-20-18-16-14-12-10-8-2/h35,37,46-49H,7-34,36,38-41H2,1-6H3,(H,51,56)/b37-35+/t46-,47-,48-,49?/m1/s1 |
| InChIKey | WNNZTTHDQPZEIK-VLISLAKVSA-N |
| Mol Weight | 850.3 g/mol |
| Molecular Formula | C50H91NO9 |
| Exact Mass | 849.669384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JpVNcx4RHva |
|---|---|
| Name | (2S,3S,4R)-N-(2'-(R)-HYDROXYTETRACOSANOATE)-1,3,4-TRIHYDROXY-2-AMINO-OCTADECA-6-ENE-TETRAACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H91NO9 |
| InChI | InChI=1S/C50H91NO9/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-48(59-44(5)54)50(56)51-46(41-57-42(3)52)49(60-45(6)55)47(58-43(4)53)39-37-35-33-31-29-20-18-16-14-12-10-8-2/h35,37,46-49H,7-34,36,38-41H2,1-6H3,(H,51,56)/b37-35+/t46-,47-,48-,49?/m1/s1 |
| InChIKey | WNNZTTHDQPZEIK-VLISLAKVSA-N |
| Literature Reference Author | H.S.GARG,S.AGRAWAL |
| Literature Reference Citation | J.NAT.PROD.,58,442(1995) |
| Literature Reference DOI | 10.1021/np50117a016 |
| Molecular Weight | 850.274 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMR124 |