| SpectraBase Compound ID | 4GFBdQKndTa |
|---|---|
| InChI | InChI=1S/C46H64O26/c1-46(15-29(50)51,72-45-39(61)36(58)33(55)28(19-49)69-45)16-30(52)66-11-7-9-21-14-25(64-4)42(71-44-38(60)35(57)32(54)27(18-48)68-44)40(65-5)22(21)10-6-8-20-12-23(62-2)41(24(13-20)63-3)70-43-37(59)34(56)31(53)26(17-47)67-43/h6-9,12-14,26-28,31-39,43-45,47-49,53-61H,10-11,15-19H2,1-5H3,(H,50,51)/b8-6+,9-7+/t26-,27-,28+,31-,32-,33+,34+,35+,36-,37-,38-,39+,43+,44+,45-,46+/m1/s1 |
| InChIKey | ULGBUJXRALOERZ-UMGYKHSLSA-N |
| Mol Weight | 1033.0 g/mol |
| Molecular Formula | C46H64O26 |
| Exact Mass | 1032.368582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKYakjUf6Sf |
|---|---|
| Name | TANGSHENOSIDE-IV |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H64O26 |
| InChI | InChI=1S/C46H64O26/c1-46(15-29(50)51,72-45-39(61)36(58)33(55)28(19-49)69-45)16-30(52)66-11-7-9-21-14-25(64-4)42(71-44-38(60)35(57)32(54)27(18-48)68-44)40(65-5)22(21)10-6-8-20-12-23(62-2)41(24(13-20)63-3)70-43-37(59)34(56)31(53)26(17-47)67-43/h6-9,12-14,26-28,31-39,43-45,47-49,53-61H,10-11,15-19H2,1-5H3,(H,50,51)/b8-6+,9-7+/t26-,27-,28+,31-,32-,33+,34+,35+,36-,37-,38-,39+,43+,44+,45-,46+/m1/s1 |
| InChIKey | ULGBUJXRALOERZ-UMGYKHSLSA-N |
| Literature Reference Author | M.YUDA,K.OHTANI,K.MIZUTANI,R.KASAI,O.TANAKA,M.R.JIA,Y.R.LING ,X.F.PU,Y.I.SARUWAT |
| Literature Reference Citation | PHYTOCHEM.,29,1989(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85053-I |
| Molecular Weight | 1032.999 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU32255 |