![#1;N-TETRACOSANOYL-1-O-[ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E,8Z,11Z)-DECOSASPHINGATRIENINE](/api/spectrum/J5zutzkt8fe/structure.png?h=300&w=458 "#1;N-TETRACOSANOYL-1-O-[ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E,8Z,11Z)-DECOSASPHINGATRIENINE")
| SpectraBase Compound ID | 57d3yNR5uE9 |
|---|---|
| InChI | InChI=1S/C64H117NO18/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-52(68)65-47(48(67)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2)44-78-62-60(76)57(73)54(70)50(82-62)46-80-64-61(77)58(74)55(71)51(83-64)45-79-63-59(75)56(72)53(69)49(43-66)81-63/h25,27,31,33,39,41,47-51,53-64,66-67,69-77H,3-24,26,28-30,32,34-38,40,42-46H2,1-2H3,(H,65,68)/b27-25-,33-31-,41-39+/t47-,48+,49+,50+,51-,53-,54-,55+,56-,57-,58+,59+,60+,61-,62+,63-,64+/m0/s1 |
| InChIKey | NLPQOMJMLMFEEN-KKUFXVQASA-N |
| Mol Weight | 1188.6 g/mol |
| Molecular Formula | C64H117NO18 |
| Exact Mass | 1187.827066 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5zutzkt8fe |
|---|---|
| Name | #1;N-TETRACOSANOYL-1-O-[ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E,8Z,11Z)-DECOSASPHINGATRIENINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H117NO18 |
| InChI | InChI=1S/C64H117NO18/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-52(68)65-47(48(67)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2)44-78-62-60(76)57(73)54(70)50(82-62)46-80-64-61(77)58(74)55(71)51(83-64)45-79-63-59(75)56(72)53(69)49(43-66)81-63/h25,27,31,33,39,41,47-51,53-64,66-67,69-77H,3-24,26,28-30,32,34-38,40,42-46H2,1-2H3,(H,65,68)/b27-25-,33-31-,41-39+/t47-,48+,49+,50+,51-,53-,54-,55+,56-,57-,58+,59+,60+,61-,62+,63-,64+/m0/s1 |
| InChIKey | NLPQOMJMLMFEEN-KKUFXVQASA-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 | 1188.629 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU31357 |