![NEOTIGOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/H7MLhgFsBaf/structure.png?h=300&w=458 "NEOTIGOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | Akegn3DSZWF |
|---|---|
| InChI | InChI=1S/C44H72O17/c1-19-7-12-44(56-16-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)57-40-37(53)34(50)38(60-41-36(52)33(49)32(48)28(15-45)58-41)29(59-40)18-55-39-35(51)31(47)26(46)17-54-39/h19-41,45-53H,5-18H2,1-4H3/t19-,20+,21+,22+,23?,24?,25+,26+,27?,28+,29-,30?,31+,32+,33-,34-,35-,36+,37-,38?,39+,40-,41-,42+,43+,44-/m1/s1 |
| InChIKey | ZUIQPSIQYROGAZ-VVGQOFJUSA-N |
| Mol Weight | 873.0 g/mol |
| Molecular Formula | C44H72O17 |
| Exact Mass | 872.476951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7MLhgFsBaf |
|---|---|
| Name | NEOTIGOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H72O17 |
| InChI | InChI=1S/C44H72O17/c1-19-7-12-44(56-16-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)57-40-37(53)34(50)38(60-41-36(52)33(49)32(48)28(15-45)58-41)29(59-40)18-55-39-35(51)31(47)26(46)17-54-39/h19-41,45-53H,5-18H2,1-4H3/t19-,20+,21+,22+,23?,24?,25+,26+,27?,28+,29-,30?,31+,32+,33-,34-,35-,36+,37-,38?,39+,40-,41-,42+,43+,44-/m1/s1 |
| InChIKey | ZUIQPSIQYROGAZ-VVGQOFJUSA-N |
| Literature Reference Author | R.R.BERNARDO,A.V.PINTO,J.P.PARENTE |
| Literature Reference Citation | PHYTOCHEM.,43,465(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00274-9 |
| Molecular Weight | 873.045 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2024 |