![AGAVESIDE-B;3-BETA-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSY-(1->2)]-BETA-D-G](/api/spectrum/LoS31HJt4Jm/structure.png?h=300&w=458 "AGAVESIDE-B;3-BETA-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSY-(1->2)]-BETA-D-G")
| SpectraBase Compound ID | CxgrG6tsMpU |
|---|---|
| InChI | InChI=1S/C55H90O26/c1-21-7-12-55(72-18-21)22(2)34-30(81-55)14-27-25-6-5-23-13-24(8-10-53(23,3)26(25)9-11-54(27,34)4)73-51-46(80-50-43(69)40(66)37(63)31(15-56)74-50)45(39(65)32(16-57)75-51)78-52-47(79-49-42(68)36(62)29(60)20-71-49)44(38(64)33(17-58)76-52)77-48-41(67)35(61)28(59)19-70-48/h21-52,56-69H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48+,49+,50-,51-,52+,53+,54+,55-/m1/s1 |
| InChIKey | OACSKEOLIDHUQF-ZTFXBWDQSA-N |
| Mol Weight | 1167.3 g/mol |
| Molecular Formula | C55H90O26 |
| Exact Mass | 1166.572033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LoS31HJt4Jm |
|---|---|
| Name | AGAVESIDE-B;3-BETA-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSY-(1->2)]-BETA-D-G |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H90O26 |
| InChI | InChI=1S/C55H90O26/c1-21-7-12-55(72-18-21)22(2)34-30(81-55)14-27-25-6-5-23-13-24(8-10-53(23,3)26(25)9-11-54(27,34)4)73-51-46(80-50-43(69)40(66)37(63)31(15-56)74-50)45(39(65)32(16-57)75-51)78-52-47(79-49-42(68)36(62)29(60)20-71-49)44(38(64)33(17-58)76-52)77-48-41(67)35(61)28(59)19-70-48/h21-52,56-69H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48+,49+,50-,51-,52+,53+,54+,55-/m1/s1 |
| InChIKey | OACSKEOLIDHUQF-ZTFXBWDQSA-N |
| Literature Reference Author | G.C.UNIYAL,P.K.AGRAWAL,R.S.THAKUR,O.P.SATI |
| Literature Reference Citation | PHYTOCHEM.,29,937(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80050-Q |
| Molecular Weight | 1167.304 g/mol |
| Solvent | C5D5N_OR_CDCl3 |
| Source File Reference | UWVN29481 |