| SpectraBase Compound ID | DQYIcEE1nmU |
|---|---|
| InChI | InChI=1S/C56H90O28/c1-20-7-10-56(74-18-20)21(2)34-28(84-56)12-26-24-6-5-22-11-23(8-9-54(22,3)25(24)13-33(62)55(26,34)4)75-50-43(71)40(68)45(32(17-60)79-50)80-53-48(47(38(66)31(16-59)78-53)82-49-41(69)35(63)27(61)19-73-49)83-52-44(72)46(37(65)30(15-58)77-52)81-51-42(70)39(67)36(64)29(14-57)76-51/h20-32,34-53,57-61,63-72H,5-19H2,1-4H3/t20-,21-,22-,23-,24?,25?,26?,27+,28?,29-,30-,31-,32+,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 | RCPYVUKVWWETTI-BDUMWSAOSA-N |
| Mol Weight | 1211.3 g/mol |
| Molecular Formula | C56H90O28 |
| Exact Mass | 1210.561862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4xXS0Qk1g7 |
|---|---|
| Name | DIURANTHOSIDE_B;NEOHECOGENIN_3-O-BETA-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRA |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O28 |
| InChI | InChI=1S/C56H90O28/c1-20-7-10-56(74-18-20)21(2)34-28(84-56)12-26-24-6-5-22-11-23(8-9-54(22,3)25(24)13-33(62)55(26,34)4)75-50-43(71)40(68)45(32(17-60)79-50)80-53-48(47(38(66)31(16-59)78-53)82-49-41(69)35(63)27(61)19-73-49)83-52-44(72)46(37(65)30(15-58)77-52)81-51-42(70)39(67)36(64)29(14-57)76-51/h20-32,34-53,57-61,63-72H,5-19H2,1-4H3/t20-,21-,22-,23-,24?,25?,26?,27+,28?,29-,30-,31-,32+,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 | RCPYVUKVWWETTI-BDUMWSAOSA-N |
| Literature Reference Author | X.C.LI,Y.F.WANG,D.Z.WANG,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,29,3899(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85355-J |
| Molecular Weight | 1211.314 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19530 |