![ETHYL-3-[O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYOCTANOATE-PERACETYLATED](/api/spectrum/9tEUxSERXak/structure.png?h=300&w=458 "ETHYL-3-[O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYOCTANOATE-PERACETYLATED")
| SpectraBase Compound ID | BApJUTsnpBY |
|---|---|
| InChI | InChI=1S/C36H54O20/c1-10-12-13-14-25(15-28(44)45-11-2)54-36-34(53-24(9)43)32(51-22(7)41)30(49-20(5)39)27(56-36)17-47-35-33(52-23(8)42)31(50-21(6)40)29(48-19(4)38)26(55-35)16-46-18(3)37/h25-27,29-36H,10-17H2,1-9H3/t25?,26-,27+,29-,30+,31+,32-,33-,34+,35-,36+/m0/s1 |
| InChIKey | AHUSKKKHOAIYOW-DFHCNIJXSA-N |
| Mol Weight | 806.8 g/mol |
| Molecular Formula | C36H54O20 |
| Exact Mass | 806.320844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9tEUxSERXak |
|---|---|
| Name | ETHYL-3-[O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYOCTANOATE-PERACETYLATED |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O20 |
| InChI | InChI=1S/C36H54O20/c1-10-12-13-14-25(15-28(44)45-11-2)54-36-34(53-24(9)43)32(51-22(7)41)30(49-20(5)39)27(56-36)17-47-35-33(52-23(8)42)31(50-21(6)40)29(48-19(4)38)26(55-35)16-46-18(3)37/h25-27,29-36H,10-17H2,1-9H3/t25?,26-,27+,29-,30+,31+,32-,33-,34+,35-,36+/m0/s1 |
| InChIKey | AHUSKKKHOAIYOW-DFHCNIJXSA-N |
| Literature Reference Author | H.MAYORGA,C.DUQUE,H.KNAPP,P.WINTERHALTER |
| Literature Reference Citation | PHYTOCHEM.,59,439(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00467-8 |
| Molecular Weight | 806.813 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN2652 |