![ACACIOSIDE-B;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-21-O-TRANS-CINNAMOYLACACIC](/api/spectrum/Iom5x97XhU9/structure.png?h=300&w=458 "ACACIOSIDE-B;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-21-O-TRANS-CINNAMOYLACACIC")
| SpectraBase Compound ID | 2SRn3lUpsvv |
|---|---|
| InChI | InChI=1S/C57H83NO19/c1-28(59)58-41-45(67)44(66)34(27-73-50-47(43(65)33(61)26-72-50)77-49-46(68)42(64)32(60)25-71-49)74-48(41)76-38-19-20-54(6)35(53(38,4)5)18-21-55(7)36(54)16-15-30-31-22-52(2,3)39(75-40(63)17-14-29-12-10-9-11-13-29)24-57(31,51(69)70)37(62)23-56(30,55)8/h9-15,17,31-39,41-50,60-62,64-68H,16,18-27H2,1-8H3,(H,58,59)(H,69,70)/b17-14+/t31?,32-,33+,34-,35?,36?,37-,38+,39+,41-,42+,43+,44-,45-,46-,47-,48+,49+,50+,54+,55-,56-,57-/m1/s1 |
| InChIKey | ACXXXCPCILHADS-OERMMOQDSA-N |
| Mol Weight | 1086.3 g/mol |
| Molecular Formula | C57H83NO19 |
| Exact Mass | 1085.555929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iom5x97XhU9 |
|---|---|
| Name | ACACIOSIDE-B;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-21-O-TRANS-CINNAMOYLACACIC |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H83NO19 |
| InChI | InChI=1S/C57H83NO19/c1-28(59)58-41-45(67)44(66)34(27-73-50-47(43(65)33(61)26-72-50)77-49-46(68)42(64)32(60)25-71-49)74-48(41)76-38-19-20-54(6)35(53(38,4)5)18-21-55(7)36(54)16-15-30-31-22-52(2,3)39(75-40(63)17-14-29-12-10-9-11-13-29)24-57(31,51(69)70)37(62)23-56(30,55)8/h9-15,17,31-39,41-50,60-62,64-68H,16,18-27H2,1-8H3,(H,58,59)(H,69,70)/b17-14+/t31?,32-,33+,34-,35?,36?,37-,38+,39+,41-,42+,43+,44-,45-,46-,47-,48+,49+,50+,54+,55-,56-,57-/m1/s1 |
| InChIKey | ACXXXCPCILHADS-OERMMOQDSA-N |
| Literature Reference Author | Y.SEO,J.HOCH,M.ABDEL-KADER,S.MALONE,I.DERVELD,H.ADAMS,M.C.M. WERKHOVEN,J.H.WISSE, |
| Literature Reference Citation | J.NAT.PROD.,65,170(2002) |
| Literature Reference DOI | 10.1021/np0103620 |
| Molecular Weight | 1086.281 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2777 |