![GENTROGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE](/api/spectrum/4wjfrz0ST6b/structure.png?h=300&w=458 "GENTROGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | IREtXClAt6u |
|---|---|
| InChI | InChI=1S/C50H78O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-64-44/h5,19-20,22-30,32-47,51-54,56-63H,6-18H2,1-4H3/t19-,20-,22-,23?,24?,25?,26+,27?,28-,29-,30+,32?,33-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43-,44-,45+,46+,47+,48-,49+,50+/m0/s1 |
| InChIKey | OZGDSHRHDMOOML-YJEPFJLKSA-N |
| Mol Weight | 1047.2 g/mol |
| Molecular Formula | C50H78O23 |
| Exact Mass | 1046.493389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wjfrz0ST6b |
|---|---|
| Name | GENTROGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H78O23 |
| InChI | InChI=1S/C50H78O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-64-44/h5,19-20,22-30,32-47,51-54,56-63H,6-18H2,1-4H3/t19-,20-,22-,23?,24?,25?,26+,27?,28-,29-,30+,32?,33-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43-,44-,45+,46+,47+,48-,49+,50+/m0/s1 |
| InChIKey | OZGDSHRHDMOOML-YJEPFJLKSA-N |
| Literature Reference Author | P.L.HUANG,K.H.GAN,R.R.WU,C.N.LIN |
| Literature Reference Citation | PHYTOCHEM.,44,1369(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00652-8 |
| Molecular Weight | 1047.156 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWAN32 |