![#12;GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOP](/api/spectrum/FhaHuJaTROp/structure.png?h=300&w=458 "#12;GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOP")
| SpectraBase Compound ID | 19Sa8M2jL3o |
|---|---|
| InChI | InChI=1S/C56H92O28/c1-20-7-10-56(74-18-20)21(2)34-29(84-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)75-50-43(71)40(68)45(33(17-60)79-50)80-53-48(47(38(66)32(16-59)78-53)82-49-41(69)35(63)27(62)19-73-49)83-52-44(72)46(37(65)31(15-58)77-52)81-51-42(70)39(67)36(64)30(14-57)76-51/h20-53,57-72H,5-19H2,1-4H3/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-/m1/s1 |
| InChIKey | ZRLAEAFHLAFLKB-ITAHDZQSSA-N |
| Mol Weight | 1213.3 g/mol |
| Molecular Formula | C56H92O28 |
| Exact Mass | 1212.577512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhaHuJaTROp |
|---|---|
| Name | #12;GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H92O28 |
| InChI | InChI=1S/C56H92O28/c1-20-7-10-56(74-18-20)21(2)34-29(84-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)75-50-43(71)40(68)45(33(17-60)79-50)80-53-48(47(38(66)32(16-59)78-53)82-49-41(69)35(63)27(62)19-73-49)83-52-44(72)46(37(65)31(15-58)77-52)81-51-42(70)39(67)36(64)30(14-57)76-51/h20-53,57-72H,5-19H2,1-4H3/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-/m1/s1 |
| InChIKey | ZRLAEAFHLAFLKB-ITAHDZQSSA-N |
| Literature Reference Author | Y.MIMAKI,O.NAKAMURA,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
| Literature Reference Citation | PHYTOCHEM.,38,1279(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00790-Z |
| Molecular Weight | 1213.330 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS3977 |