![BUTYL-3S-[O-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTANOATE-PERACETYLATED](/api/spectrum/2MQejcEBJ24/structure.png?h=300&w=458 "BUTYL-3S-[O-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTANOATE-PERACETYLATED")
| SpectraBase Compound ID | 3RxIufp0MyP |
|---|---|
| InChI | InChI=1S/C31H46O18/c1-9-10-11-39-24(38)12-15(2)42-31-29(48-21(8)37)27(46-19(6)35)25(44-17(4)33)23(49-31)14-41-30-28(47-20(7)36)26(45-18(5)34)22(13-40-30)43-16(3)32/h15,22-23,25-31H,9-14H2,1-8H3/t15-,22-,23-,25-,26-,27+,28+,29-,30-,31-/m1/s1 |
| InChIKey | NTMCNXOHIKKBGQ-JRMHYYDNSA-N |
| Mol Weight | 706.7 g/mol |
| Molecular Formula | C31H46O18 |
| Exact Mass | 706.268415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2MQejcEBJ24 |
|---|---|
| Name | BUTYL-3S-[O-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTANOATE-PERACETYLATED |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O18 |
| InChI | InChI=1S/C31H46O18/c1-9-10-11-39-24(38)12-15(2)42-31-29(48-21(8)37)27(46-19(6)35)25(44-17(4)33)23(49-31)14-41-30-28(47-20(7)36)26(45-18(5)34)22(13-40-30)43-16(3)32/h15,22-23,25-31H,9-14H2,1-8H3/t15-,22-,23-,25-,26-,27+,28+,29-,30-,31-/m1/s1 |
| InChIKey | NTMCNXOHIKKBGQ-JRMHYYDNSA-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 | 706.695 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN2654 |