![AS-1-1;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3R,4E,8E)-2-[(2R)-2-HYDROXY-TETRADECANOYLAMINO]-4,8-OCTADECADIENE-1,3-DIOL](/api/spectrum/1b9PLOBRnxk/structure.png?h=300&w=458 "AS-1-1;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3R,4E,8E)-2-[(2R)-2-HYDROXY-TETRADECANOYLAMINO]-4,8-OCTADECADIENE-1,3-DIOL")
| SpectraBase Compound ID | 7gAEP5vEEm6 |
|---|---|
| InChI | InChI=1S/C38H71NO9/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(41)30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)39-37(46)32(42)27-25-23-21-18-14-12-10-8-6-4-2/h17,19,24,26,30-36,38,40-45H,3-16,18,20-23,25,27-29H2,1-2H3,(H,39,46)/b19-17+,26-24+/t30-,31+,32-,33-,34-,35+,36-,38-/m0/s1 |
| InChIKey | DSCPFMRUDHIMNW-CQYRFOOVSA-N |
| Mol Weight | 686.0 g/mol |
| Molecular Formula | C38H71NO9 |
| Exact Mass | 685.512883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1b9PLOBRnxk |
|---|---|
| Name | AS-1-1;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3R,4E,8E)-2-[(2R)-2-HYDROXY-TETRADECANOYLAMINO]-4,8-OCTADECADIENE-1,3-DIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H71NO9 |
| InChI | InChI=1S/C38H71NO9/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(41)30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)39-37(46)32(42)27-25-23-21-18-14-12-10-8-6-4-2/h17,19,24,26,30-36,38,40-45H,3-16,18,20-23,25,27-29H2,1-2H3,(H,39,46)/b19-17+,26-24+/t30-,31+,32-,33-,34-,35+,36-,38-/m0/s1 |
| InChIKey | DSCPFMRUDHIMNW-CQYRFOOVSA-N |
| Literature Reference Author | M.INAGAKI,Y.HARADA,K.YAMADA,R.ISOBE,R.HIGUCHI,H.MATSUURA,Y.I TAKURA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1153(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1153 |
| Molecular Weight | 685.983 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6581 |