![PORTULACEREBROSIDE-C;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E)-2-[(2'R)-2-HYDROXYLPENTADECANOYLAMINO]-4-HEPTACENE-1,3-DIOL](/api/spectrum/LUussn7IuZw/structure.png?h=300&w=458 "PORTULACEREBROSIDE-C;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E)-2-[(2'R)-2-HYDROXYLPENTADECANOYLAMINO]-4-HEPTACENE-1,3-DIOL")
| SpectraBase Compound ID | IxL950lZrA |
|---|---|
| InChI | InChI=1S/C38H73NO9/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(41)30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)39-37(46)32(42)27-25-23-21-19-16-14-12-10-8-6-4-2/h24,26,30-36,38,40-45H,3-23,25,27-29H2,1-2H3,(H,39,46)/b26-24+/t30-,31+,32-,33-,34-,35+,36-,38-/m0/s1 |
| InChIKey | PGTNFQOFKKIEKI-WLZYXIEUSA-N |
| Mol Weight | 688.0 g/mol |
| Molecular Formula | C38H73NO9 |
| Exact Mass | 687.528533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUussn7IuZw |
|---|---|
| Name | PORTULACEREBROSIDE-C;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E)-2-[(2'R)-2-HYDROXYLPENTADECANOYLAMINO]-4-HEPTACENE-1,3-DIOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H73NO9 |
| InChI | InChI=1S/C38H73NO9/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(41)30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)39-37(46)32(42)27-25-23-21-19-16-14-12-10-8-6-4-2/h24,26,30-36,38,40-45H,3-23,25,27-29H2,1-2H3,(H,39,46)/b26-24+/t30-,31+,32-,33-,34-,35+,36-,38-/m0/s1 |
| InChIKey | PGTNFQOFKKIEKI-WLZYXIEUSA-N |
| Literature Reference Author | X.LEI,J.LI,B.LIU,N.ZHANG,H.LIU |
| Literature Reference Citation | MOLECULES,20,16375(2015) |
| Literature Reference DOI | 10.3390/molecules200916375 |
| Molecular Weight | 687.999 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA5138 |