| SpectraBase Compound ID | Ah1Cw5lsBuX |
|---|---|
| InChI | InChI=1S/C44H66O21/c1-18-36(64-40-35(55)32(52)37(26(16-46)63-40)65-39-33(53)30(50)29(49)25(15-45)62-39)31(51)34(54)38(59-18)61-21-7-10-41(3)23(13-21)24(60-19(2)47)14-43(56)27(41)9-11-42(4)22(8-12-44(42,43)57)20-5-6-28(48)58-17-20/h5-6,17-18,21-27,29-40,45-46,49-57H,7-16H2,1-4H3/t18-,21-,22?,23+,24+,25+,26-,27?,29+,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+,41-,42+,43-,44+/m0/s1 |
| InChIKey | OKATZWGXQGDSHL-SDYFPXKUSA-N |
| Mol Weight | 931.0 g/mol |
| Molecular Formula | C44H66O21 |
| Exact Mass | 930.409659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AAGmcEwqclQ |
|---|---|
| Name | 5-ALPHA-4,5-DIHYDROSCILLIROSIDIN-3-O-ALPHA-L-RHAMNOSIDO-1''->4'-BETA-D-GLUCOSIDO-1'''->4''-BETA-D-GLUCOSIDE |
| Compound Number | 34 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H66O21 |
| InChI | InChI=1S/C44H66O21/c1-18-36(64-40-35(55)32(52)37(26(16-46)63-40)65-39-33(53)30(50)29(49)25(15-45)62-39)31(51)34(54)38(59-18)61-21-7-10-41(3)23(13-21)24(60-19(2)47)14-43(56)27(41)9-11-42(4)22(8-12-44(42,43)57)20-5-6-28(48)58-17-20/h5-6,17-18,21-27,29-40,45-46,49-57H,7-16H2,1-4H3/t18-,21-,22?,23+,24+,25+,26-,27?,29+,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+,41-,42+,43-,44+/m0/s1 |
| InChIKey | OKATZWGXQGDSHL-SDYFPXKUSA-N |
| Literature Reference Author | B.KOPP,L.KRENN,M.DRAXLER,A.HOYER,R.TERKOLA,P.VALLASTER,W.ROB IEN |
| Literature Reference Citation | PHYTOCHEM.,42,513(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00876-4 |
| Molecular Weight | 930.995 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWLU3399 |