![ISOSCUTELLAREIN-7-O-[6'''-O-ACETYL-BETA-D-ALLOPYRANOSYL-(1->2)]-6''-O-ACETYL-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/Eguw4gsctnz/structure.png?h=300&w=458 "ISOSCUTELLAREIN-7-O-[6'''-O-ACETYL-BETA-D-ALLOPYRANOSYL-(1->2)]-6''-O-ACETYL-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | JOBa1R1KnS4 |
|---|---|
| InChI | InChI=1S/C31H34O18/c1-11(32)43-9-19-22(37)25(40)27(42)30(47-19)49-29-26(41)23(38)20(10-44-12(2)33)48-31(29)46-18-8-16(36)21-15(35)7-17(45-28(21)24(18)39)13-3-5-14(34)6-4-13/h3-8,19-20,22-23,25-27,29-31,34,36-42H,9-10H2,1-2H3/t19-,20-,22-,23-,25-,26+,27-,29-,30+,31-/m0/s1 |
| InChIKey | PWOFHOJJMWJGLT-WEFINOHWSA-N |
| Mol Weight | 694.6 g/mol |
| Molecular Formula | C31H34O18 |
| Exact Mass | 694.174514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eguw4gsctnz |
|---|---|
| Name | ISOSCUTELLAREIN-7-O-[6'''-O-ACETYL-BETA-D-ALLOPYRANOSYL-(1->2)]-6''-O-ACETYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H34O18 |
| InChI | InChI=1S/C31H34O18/c1-11(32)43-9-19-22(37)25(40)27(42)30(47-19)49-29-26(41)23(38)20(10-44-12(2)33)48-31(29)46-18-8-16(36)21-15(35)7-17(45-28(21)24(18)39)13-3-5-14(34)6-4-13/h3-8,19-20,22-23,25-27,29-31,34,36-42H,9-10H2,1-2H3/t19-,20-,22-,23-,25-,26+,27-,29-,30+,31-/m0/s1 |
| InChIKey | PWOFHOJJMWJGLT-WEFINOHWSA-N |
| Literature Reference Author | F.P.SAHIN,N.EZER,I.CALIS |
| Literature Reference Citation | TURK.J.CHEM.,30,495(2006) |
| Literature Reference DOI | 10.1039/b604024c |
| Molecular Weight | 694.600 g/mol |
| Sample ID | 36506 |
| Solvent | CD3OD |