| SpectraBase Compound ID | Gw6Q1xEYxbK |
|---|---|
| InChI | InChI=1S/C49H83NO13/c1-9-10-11-12-13-14-15-16-17-20-23-26-29-32-43(59-38(5)52)42(50-45(56)33-30-27-24-21-18-19-22-25-28-31-36(2)3)34-58-49-48(62-41(8)55)47(61-40(7)54)46(60-39(6)53)44(63-49)35-57-37(4)51/h17,20,29,32,36,42-44,46-49H,9-16,18-19,21-28,30-31,33-35H2,1-8H3,(H,50,56)/b20-17+,32-29+/t42?,43?,44-,46+,47+,48-,49-/m1/s1 |
| InChIKey | ZAVHIOTYORJWOM-NTKAYMPPSA-N |
| Mol Weight | 894.2 g/mol |
| Molecular Formula | C49H83NO13 |
| Exact Mass | 893.586442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DmHQ3oKl5eF |
|---|---|
| Name | (4E,8E)-N-13'-METHYLTETRADECANOYL-1-O-BETA-D-GALACTOPYRANOSYL-4-OCTADECA-SPHINGADIENE-PENTAACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H83NO13 |
| InChI | InChI=1S/C49H83NO13/c1-9-10-11-12-13-14-15-16-17-20-23-26-29-32-43(59-38(5)52)42(50-45(56)33-30-27-24-21-18-19-22-25-28-31-36(2)3)34-58-49-48(62-41(8)55)47(61-40(7)54)46(60-39(6)53)44(63-49)35-57-37(4)51/h17,20,29,32,36,42-44,46-49H,9-16,18-19,21-28,30-31,33-35H2,1-8H3,(H,50,56)/b20-17+,32-29+/t42?,43?,44-,46+,47+,48-,49-/m1/s1 |
| InChIKey | ZAVHIOTYORJWOM-NTKAYMPPSA-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 | 894.197 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4256 |