![#5;N-TETRACOSANOYL-1-O-[ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGENINE](/api/spectrum/I3SM0uSDtU6/structure.png?h=300&w=458 "#5;N-TETRACOSANOYL-1-O-[ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGENINE")
| SpectraBase Compound ID | BNyWTRS29rk |
|---|---|
| InChI | InChI=1S/C61H115NO18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-32-35-38-49(65)62-44(45(64)37-34-31-28-25-22-20-21-24-27-30-33-36-43(2)3)40-75-59-57(73)54(70)51(67)47(79-59)42-77-61-58(74)55(71)52(68)48(80-61)41-76-60-56(72)53(69)50(66)46(39-63)78-60/h34,37,43-48,50-61,63-64,66-74H,4-33,35-36,38-42H2,1-3H3,(H,62,65)/b37-34+/t44-,45+,46+,47+,48-,50-,51-,52+,53-,54-,55+,56+,57+,58-,59+,60-,61+/m0/s1 |
| InChIKey | SRPCYAIMVZBRBJ-BHNFCOFUSA-N |
| Mol Weight | 1150.6 g/mol |
| Molecular Formula | C61H115NO18 |
| Exact Mass | 1149.811416 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3SM0uSDtU6 |
|---|---|
| Name | #5;N-TETRACOSANOYL-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 | C61H115NO18 |
| InChI | InChI=1S/C61H115NO18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-32-35-38-49(65)62-44(45(64)37-34-31-28-25-22-20-21-24-27-30-33-36-43(2)3)40-75-59-57(73)54(70)51(67)47(79-59)42-77-61-58(74)55(71)52(68)48(80-61)41-76-60-56(72)53(69)50(66)46(39-63)78-60/h34,37,43-48,50-61,63-64,66-74H,4-33,35-36,38-42H2,1-3H3,(H,62,65)/b37-34+/t44-,45+,46+,47+,48-,50-,51-,52+,53-,54-,55+,56+,57+,58-,59+,60-,61+/m0/s1 |
| InChIKey | SRPCYAIMVZBRBJ-BHNFCOFUSA-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 | 1150.580 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU31361 |