| SpectraBase Compound ID | HCrl00gyXai |
|---|---|
| InChI | InChI=1S/C48H74O20/c1-22-41(66-36-16-31(52)42(23(2)62-36)67-37-17-32(59-5)43(24(3)63-37)68-44-40(56)39(55)38(54)33(19-49)65-44)30(51)15-35(61-22)64-26-6-11-46(21-50)28-7-10-45(4)27(25-14-34(53)60-20-25)9-13-48(45,58)29(28)8-12-47(46,57)18-26/h14,21-24,26-33,35-44,49,51-52,54-58H,6-13,15-20H2,1-5H3/t22-,23-,24+,26-,27+,28-,29+,30+,31+,32-,33-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44+,45+,46-,47-,48-/m0/s1 |
| InChIKey | IMNHFZIFCBHSQR-MYWCHNKZSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C48H74O20 |
| Exact Mass | 970.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C53XRnhbOUo |
|---|---|
| Name | STROPHANTHIDIN_3-O-BETA-D-DIGITOXOSIDO-BETA-D-DIGITOXOSIDE-BETA-D-DIGINOSIDO-BETA-D-GLUCOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O20 |
| InChI | InChI=1S/C48H74O20/c1-22-41(66-36-16-31(52)42(23(2)62-36)67-37-17-32(59-5)43(24(3)63-37)68-44-40(56)39(55)38(54)33(19-49)65-44)30(51)15-35(61-22)64-26-6-11-46(21-50)28-7-10-45(4)27(25-14-34(53)60-20-25)9-13-48(45,58)29(28)8-12-47(46,57)18-26/h14,21-24,26-33,35-44,49,51-52,54-58H,6-13,15-20H2,1-5H3/t22-,23-,24+,26-,27+,28-,29+,30+,31+,32-,33-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44+,45+,46-,47-,48-/m0/s1 |
| InChIKey | IMNHFZIFCBHSQR-MYWCHNKZSA-N |
| Literature Reference Author | B.KOPP,L.KRENN,E.KUBELKA,W.KUBELKA |
| Literature Reference Citation | PHYTOCHEM.,31,3195(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83473-C |
| Molecular Weight | 971.104 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWMZ21536 |