![1-O-BETA-D-GLUCOPYRANOSYL-[2S,3R,(4E),(8Z)]-2-[(2-HYDROXYOCTADECANOYL)-AMIDO]-4,8-OCTADECADIENE-1,3-DIOL](/api/spectrum/CQeHwNpRH8e/structure.png?h=300&w=458 "1-O-BETA-D-GLUCOPYRANOSYL-[2S,3R,(4E),(8Z)]-2-[(2-HYDROXYOCTADECANOYL)-AMIDO]-4,8-OCTADECADIENE-1,3-DIOL")
| SpectraBase Compound ID | 4FIHsupekQ7 |
|---|---|
| InChI | InChI=1S/C42H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28,30,34-40,42,44-49H,3-19,21,23-27,29,31-33H2,1-2H3,(H,43,50)/b22-20-,30-28+/t34-,35+,36?,37-,38-,39+,40-,42-/m0/s1 |
| InChIKey | BLFKVICPDXPVLY-URMNXAQSSA-N |
| Mol Weight | 742.1 g/mol |
| Molecular Formula | C42H79NO9 |
| Exact Mass | 741.575483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQeHwNpRH8e |
|---|---|
| Name | 1-O-BETA-D-GLUCOPYRANOSYL-[2S,3R,(4E),(8Z)]-2-[(2-HYDROXYOCTADECANOYL)-AMIDO]-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 | C42H79NO9 |
| InChI | InChI=1S/C42H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28,30,34-40,42,44-49H,3-19,21,23-27,29,31-33H2,1-2H3,(H,43,50)/b22-20-,30-28+/t34-,35+,36?,37-,38-,39+,40-,42-/m0/s1 |
| InChIKey | BLFKVICPDXPVLY-URMNXAQSSA-N |
| Literature Reference Author | R.F.WANG,X.W.WU,D.GENG |
| Literature Reference Citation | MOLECULES,18,1181(2013) |
| Literature Reference DOI | 10.3390/molecules18011181 |
| Molecular Weight | 742.091 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT8776 |