![#5;1-O-[(12R*),(13S*)-DIACETOXYICOSA-5Z,8Z,10E,14Z,17Z-PENTAENOYL]-2-O-PALMITOYL-3-O-[BETA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-L-GALACTOPYRANOSYL]-GLYCEROL](/api/spectrum/F6z30rGDce5/structure.png?h=300&w=458 "#5;1-O-[(12R*),(13S*)-DIACETOXYICOSA-5Z,8Z,10E,14Z,17Z-PENTAENOYL]-2-O-PALMITOYL-3-O-[BETA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-L-GALACTOPYRANOSYL]-GLYCEROL")
| SpectraBase Compound ID | 3DpdE1VhZBE |
|---|---|
| InChI | InChI=1S/C69H104O26/c1-12-14-16-18-19-20-21-22-23-24-29-33-37-41-61(80)93-55(42-82-60(79)40-36-32-28-26-25-27-31-35-39-57(86-48(5)72)56(85-47(4)71)38-34-30-17-15-13-2)43-83-68-66(91-53(10)77)65(90-52(9)76)63(88-50(7)74)59(95-68)45-84-69-67(92-54(11)78)64(89-51(8)75)62(87-49(6)73)58(94-69)44-81-46(3)70/h15,17,26-28,31,34-35,38-39,55-59,62-69H,12-14,16,18-25,29-30,32-33,36-37,40-45H2,1-11H3/b17-15-,28-26-,31-27-,38-34-,39-35+/t55?,56-,57-,58+,59-,62-,63+,64-,65+,66-,67+,68-,69-/m0/s1 |
| InChIKey | YSNGNIOMKPIJRG-HLYHIPNKSA-N |
| Mol Weight | 1349.6 g/mol |
| Molecular Formula | C69H104O26 |
| Exact Mass | 1348.681583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6z30rGDce5 |
|---|---|
| Name | #5;1-O-[(12R*),(13S*)-DIACETOXYICOSA-5Z,8Z,10E,14Z,17Z-PENTAENOL]-2-O-PALMITOL-[3-O-BETA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-L-GALACTOPYRANOSYL]-GLYCEROL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H104O26 |
| InChI | InChI=1S/C69H104O26/c1-12-14-16-18-19-20-21-22-23-24-29-33-37-41-61(80)93-55(42-82-60(79)40-36-32-28-26-25-27-31-35-39-57(86-48(5)72)56(85-47(4)71)38-34-30-17-15-13-2)43-83-68-66(91-53(10)77)65(90-52(9)76)63(88-50(7)74)59(95-68)45-84-69-67(92-54(11)78)64(89-51(8)75)62(87-49(6)73)58(94-69)44-81-46(3)70/h15,17,26-28,31,34-35,38-39,55-59,62-69H,12-14,16,18-25,29-30,32-33,36-37,40-45H2,1-11H3/b17-15-,28-26-,31-27-,38-34-,39-35+/t55?,56-,57-,58+,59-,62-,63+,64-,65+,66-,67+,68-,69-/m0/s1 |
| InChIKey | YSNGNIOMKPIJRG-HLYHIPNKSA-N |
| Literature Reference Author | Z.D.JIANG,W.H.GERWICK |
| Literature Reference Citation | PHYTOCHEM.,29,1433(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80096-Y |
| Molecular Weight | 1349.569 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWLU32038 |