![#4;N-DOCOSADECANOYL-1-O-[ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGENINE](/api/spectrum/2YPTRcqjQ82/structure.png?h=300&w=458 "#4;N-DOCOSADECANOYL-1-O-[ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGENINE")
| SpectraBase Compound ID | IC2gZUxtRbi |
|---|---|
| InChI | InChI=1S/C59H111NO18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-36-47(63)60-42(43(62)35-32-29-26-23-20-18-19-22-25-28-31-34-41(2)3)38-73-57-55(71)52(68)49(65)45(77-57)40-75-59-56(72)53(69)50(66)46(78-59)39-74-58-54(70)51(67)48(64)44(37-61)76-58/h32,35,41-46,48-59,61-62,64-72H,4-31,33-34,36-40H2,1-3H3,(H,60,63)/b35-32+/t42-,43+,44+,45+,46-,48-,49-,50+,51-,52-,53+,54+,55+,56-,57+,58-,59+/m0/s1 |
| InChIKey | MVKRQDJXZTYLAZ-APWFNKQLSA-N |
| Mol Weight | 1122.5 g/mol |
| Molecular Formula | C59H111NO18 |
| Exact Mass | 1121.780116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YPTRcqjQ82 |
|---|---|
| Name | #4;N-DOCOSADECANOYL-1-O-[ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGENINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H111NO18 |
| InChI | InChI=1S/C59H111NO18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-36-47(63)60-42(43(62)35-32-29-26-23-20-18-19-22-25-28-31-34-41(2)3)38-73-57-55(71)52(68)49(65)45(77-57)40-75-59-56(72)53(69)50(66)46(78-59)39-74-58-54(70)51(67)48(64)44(37-61)76-58/h32,35,41-46,48-59,61-62,64-72H,4-31,33-34,36-40H2,1-3H3,(H,60,63)/b35-32+/t42-,43+,44+,45+,46-,48-,49-,50+,51-,52-,53+,54+,55+,56-,57+,58-,59+/m0/s1 |
| InChIKey | MVKRQDJXZTYLAZ-APWFNKQLSA-N |
| Literature Reference Author | N.NODA,R.TANAKA,K.MIYAHARA,T.SUKAMOTO |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,895(1996) |
| Literature Reference DOI | 10.1248/cpb.44.895 |
| Molecular Weight | 1122.526 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU31360 |