![#1S;GITOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSID](/api/spectrum/4hQzjmhzlwn/structure.png?h=300&w=458 "#1S;GITOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSID")
| SpectraBase Compound ID | A0pUNqp0ORB |
|---|---|
| InChI | InChI=1S/C57H94O29/c1-20-7-10-57(75-19-20)21(2)34-28(86-57)12-25-23-6-5-22-11-27(26(63)13-56(22,4)24(23)8-9-55(25,34)3)76-50-44(73)41(70)46(33(18-62)81-50)82-54-49(48(38(67)32(17-61)80-54)84-52-43(72)40(69)36(65)30(15-59)78-52)85-53-45(74)47(37(66)31(16-60)79-53)83-51-42(71)39(68)35(64)29(14-58)77-51/h20-54,58-74H,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+,57+/m1/s1 |
| InChIKey | JIZRPXPOICDUSP-GAZNQVPHSA-N |
| Mol Weight | 1243.3 g/mol |
| Molecular Formula | C57H94O29 |
| Exact Mass | 1242.588077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hQzjmhzlwn |
|---|---|
| Name | #1S;GITOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H94O29 |
| InChI | InChI=1S/C57H94O29/c1-20-7-10-57(75-19-20)21(2)34-28(86-57)12-25-23-6-5-22-11-27(26(63)13-56(22,4)24(23)8-9-55(25,34)3)76-50-44(73)41(70)46(33(18-62)81-50)82-54-49(48(38(67)32(17-61)80-54)84-52-43(72)40(69)36(65)30(15-59)78-52)85-53-45(74)47(37(66)31(16-60)79-53)83-51-42(71)39(68)35(64)29(14-58)77-51/h20-54,58-74H,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+,57+/m1/s1 |
| InChIKey | JIZRPXPOICDUSP-GAZNQVPHSA-N |
| Literature Reference Author | S.YAHARA,T.URA,C.SAKAMOTO,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,37,831(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90366-2 |
| Molecular Weight | 1243.356 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23514 |