![GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-](/api/spectrum/A7d51zafp2U/structure.png?h=300&w=458 "GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-")
| SpectraBase Compound ID | KeoWBZ7hbya |
|---|---|
| InChI | InChI=1S/C56H92O27/c1-20-8-11-56(73-18-20)21(2)34-29(83-56)13-26-24-7-6-23-12-28(27(60)14-55(23,5)25(24)9-10-54(26,34)4)75-51-45(71)41(67)46(32(17-59)78-51)80-53-48(82-52-44(70)40(66)36(62)30(15-57)76-52)47(38(64)31(16-58)77-53)81-49-42(68)37(63)33(19-72-49)79-50-43(69)39(65)35(61)22(3)74-50/h20-53,57-71H,6-19H2,1-5H3/t20-,21-,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-,56+/m0/s1 |
| InChIKey | NKJKUGAKHPNGTM-BHOWMETPSA-N |
| Mol Weight | 1197.3 g/mol |
| Molecular Formula | C56H92O27 |
| Exact Mass | 1196.582598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7d51zafp2U |
|---|---|
| Name | GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA- |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H92O27 |
| InChI | InChI=1S/C56H92O27/c1-20-8-11-56(73-18-20)21(2)34-29(83-56)13-26-24-7-6-23-12-28(27(60)14-55(23,5)25(24)9-10-54(26,34)4)75-51-45(71)41(67)46(32(17-59)78-51)80-53-48(82-52-44(70)40(66)36(62)30(15-57)76-52)47(38(64)31(16-58)77-53)81-49-42(68)37(63)33(19-72-49)79-50-43(69)39(65)35(61)22(3)74-50/h20-53,57-71H,6-19H2,1-5H3/t20-,21-,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-,56+/m0/s1 |
| InChIKey | NKJKUGAKHPNGTM-BHOWMETPSA-N |
| Literature Reference Author | Y.MIMAKI,A.KAMEYAMA,M.KURODA,Y.SASHIDA,T.HIRANO,K.OKA,K.KOIK E,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,44,305(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00548-1 |
| Molecular Weight | 1197.330 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA79 |