![4-[O-(TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-(1->4)-O-(TRI-O-ACETYL-BETA-D-GLUCOSYL)-(1->4)-TRI-O-ACETYL-BETA-D-GLUCOSYL]-BUT-1-ENE](/api/spectrum/Ce86NdcRRbK/structure.png?h=300&w=458 "4-[O-(TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-(1->4)-O-(TRI-O-ACETYL-BETA-D-GLUCOSYL)-(1->4)-TRI-O-ACETYL-BETA-D-GLUCOSYL]-BUT-1-ENE")
| SpectraBase Compound ID | 7Hx7CMeHqv7 |
|---|---|
| InChI | InChI=1S/C42H58O25/c1-12-13-14-28-32(56-21(5)46)36(58-23(7)48)34(29(63-28)15-53-18(2)43)66-42-40(62-27(11)52)38(60-25(9)50)35(31(65-42)17-55-20(4)45)67-41-39(61-26(10)51)37(59-24(8)49)33(57-22(6)47)30(64-41)16-54-19(3)44/h12,28-42H,1,13-17H2,2-11H3/t28-,29+,30-,31-,32-,33-,34+,35-,36+,37+,38+,39-,40-,41+,42+/m0/s1 |
| InChIKey | BQPBWUMXYJDBEG-MSUASJIESA-N |
| Mol Weight | 962.9 g/mol |
| Molecular Formula | C42H58O25 |
| Exact Mass | 962.326717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ce86NdcRRbK |
|---|---|
| Name | 4-[O-(TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-(1->4)-O-(TRI-O-ACETYL-BETA-D-GLUCOSYL)-(1->4)-TRI-O-ACETYL-BETA-D-GLUCOSYL]-BUT-1-ENE |
| Compound Number | 9(N=2) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58O25 |
| InChI | InChI=1S/C42H58O25/c1-12-13-14-28-32(56-21(5)46)36(58-23(7)48)34(29(63-28)15-53-18(2)43)66-42-40(62-27(11)52)38(60-25(9)50)35(31(65-42)17-55-20(4)45)67-41-39(61-26(10)51)37(59-24(8)49)33(57-22(6)47)30(64-41)16-54-19(3)44/h12,28-42H,1,13-17H2,2-11H3/t28-,29+,30-,31-,32-,33-,34+,35-,36+,37+,38+,39-,40-,41+,42+/m0/s1 |
| InChIKey | BQPBWUMXYJDBEG-MSUASJIESA-N |
| Literature Reference Author | J.K.FAIRWEATHER,R.V.STICK,S.G.WITHERS |
| Literature Reference Citation | AUSTR.J.CHEM.,53,913(2000) |
| Literature Reference DOI | 10.1071/CH00125 |
| Molecular Weight | 962.908 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI3127 |