![N-DECOSANOYL-1-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-4E-OCTADECASPHINGENINE](/api/spectrum/A270gUlYfc9/structure.png?h=300&w=458 "N-DECOSANOYL-1-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-4E-OCTADECASPHINGENINE")
| SpectraBase Compound ID | JGHxr0mqSK6 |
|---|---|
| InChI | InChI=1S/C58H109NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(63)59-41(42(62)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-72-56-52(69)50(67)48(65)45(76-56)40-73-57-54(71)51(68)55(44(38-61)75-57)77-58-53(70)49(66)47(64)43(37-60)74-58/h33,35,41-45,47-58,60-62,64-71H,3-32,34,36-40H2,1-2H3,(H,59,63)/b35-33+/t41-,42+,43+,44+,45-,47+,48+,49-,50+,51+,52-,53+,54+,55-,56-,57+,58+/m0/s1 |
| InChIKey | KNBVZZHJTKFQKJ-VVRKSMPQSA-N |
| Mol Weight | 1108.5 g/mol |
| Molecular Formula | C58H109NO18 |
| Exact Mass | 1107.764466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A270gUlYfc9 |
|---|---|
| Name | N-DECOSANOYL-1-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-4E-OCTADECASPHINGENINE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H109NO18 |
| InChI | InChI=1S/C58H109NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(63)59-41(42(62)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-72-56-52(69)50(67)48(65)45(76-56)40-73-57-54(71)51(68)55(44(38-61)75-57)77-58-53(70)49(66)47(64)43(37-60)74-58/h33,35,41-45,47-58,60-62,64-71H,3-32,34,36-40H2,1-2H3,(H,59,63)/b35-33+/t41-,42+,43+,44+,45-,47+,48+,49-,50+,51+,52-,53+,54+,55-,56-,57+,58+/m0/s1 |
| InChIKey | KNBVZZHJTKFQKJ-VVRKSMPQSA-N |
| Literature Reference Author | R.TANAKA,N.NODA,K.MIYAHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1167(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1167 |
| Molecular Weight | 1108.499 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8208 |