| SpectraBase Compound ID | 3Gls8Nr8Mi5 |
|---|---|
| InChI | InChI=1S/C54H95NO13/c1-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-50(61)55-47(48(64-43(4)57)38-36-34-32-30-28-19-17-15-13-11-9-2)40-63-54-53(67-46(7)60)52(66-45(6)59)51(65-44(5)58)49(68-54)41-62-42(3)56/h36,38,47-49,51-54H,8-35,37,39-41H2,1-7H3,(H,55,61)/b38-36+/t47?,48?,49-,51+,52+,53-,54-/m1/s1 |
| InChIKey | QZGQGFBLHGLTQW-PBSHDKHNSA-N |
| Mol Weight | 966.3 g/mol |
| Molecular Formula | C54H95NO13 |
| Exact Mass | 965.680342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RwLp7hX6vH |
|---|---|
| Name | (4E)-N-DOCOSANYL-1-O-BETA-D-GALACTOPYRANOSYL-4-HEXADECA-SPHINGANINE-PENTAACETATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H95NO13 |
| InChI | InChI=1S/C54H95NO13/c1-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-50(61)55-47(48(64-43(4)57)38-36-34-32-30-28-19-17-15-13-11-9-2)40-63-54-53(67-46(7)60)52(66-45(6)59)51(65-44(5)58)49(68-54)41-62-42(3)56/h36,38,47-49,51-54H,8-35,37,39-41H2,1-7H3,(H,55,61)/b38-36+/t47?,48?,49-,51+,52+,53-,54-/m1/s1 |
| InChIKey | QZGQGFBLHGLTQW-PBSHDKHNSA-N |
| Literature Reference Author | D.G.NAGLE,W.C.MCCLATCHEY,W.H.GERWICK |
| Literature Reference Citation | J.NAT.PROD.,55,1013(1992) |
| Literature Reference DOI | 10.1021/np50085a032 |
| Molecular Weight | 966.347 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4257 |