| SpectraBase Compound ID | HEEwyRxXQ1C |
|---|---|
| InChI | InChI=1S/C37H48O19/c1-9-22-23(10-11-38)26(33(44)54-27-12-24-25(16(27)2)13-49-36(53-21(7)43)29(24)34(45)46-8)14-48-35(22)56-37-32(52-20(6)42)31(51-19(5)41)30(50-18(4)40)28(55-37)15-47-17(3)39/h9,11,14,16,22-25,27-32,35-37H,1,10,12-13,15H2,2-8H3/t16-,22-,23+,24+,25-,27+,28+,29+,30+,31-,32+,35+,36?,37?/m1/s1 |
| InChIKey | YOBKEKLJDZOZCP-PBOIZMBKSA-N |
| Mol Weight | 796.8 g/mol |
| Molecular Formula | C37H48O19 |
| Exact Mass | 796.278979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IgymVuk1lpv |
|---|---|
| Name | LACINIATOSIDE-1-PERACETATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H48O19 |
| InChI | InChI=1S/C37H48O19/c1-9-22-23(10-11-38)26(33(44)54-27-12-24-25(16(27)2)13-49-36(53-21(7)43)29(24)34(45)46-8)14-48-35(22)56-37-32(52-20(6)42)31(51-19(5)41)30(50-18(4)40)28(55-37)15-47-17(3)39/h9,11,14,16,22-25,27-32,35-37H,1,10,12-13,15H2,2-8H3/t16-,22-,23+,24+,25-,27+,28+,29+,30+,31-,32+,35+,36?,37?/m1/s1 |
| InChIKey | YOBKEKLJDZOZCP-PBOIZMBKSA-N |
| Literature Reference Author | A.KOCSIS,L.F.SZABO,B.PODANYI |
| Literature Reference Citation | J.NAT.PROD.,56,1486(1993) |
| Literature Reference DOI | 10.1021/np50099a007 |
| Molecular Weight | 796.777 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS18523 |