| SpectraBase Compound ID | 5bpJ9tedpDo |
|---|---|
| InChI | InChI=1S/C41H60O18/c1-18-34(59-36-32(48)31(47)30(46)26(16-42)58-36)35(52-6)33(49)37(54-18)57-22-9-11-38(4)23(13-22)24(55-19(2)43)14-40(50)27(38)10-12-39(5)29(21-7-8-28(45)53-17-21)25(56-20(3)44)15-41(39,40)51/h7-8,17-18,22-27,29-37,42,46-51H,9-16H2,1-6H3/t18?,22-,23+,24+,25-,26-,27?,29?,30-,31+,32-,33?,34?,35?,36+,37?,38-,39+,40-,41+/m0/s1 |
| InChIKey | CCBIBXPDHZFLBE-NQENXVITSA-N |
| Mol Weight | 840.9 g/mol |
| Molecular Formula | C41H60O18 |
| Exact Mass | 840.377965 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfgIdcwxstc |
|---|---|
| Name | 5-ALPHA-4,5-DIHYDRO-16-BETA-O-ACETYL-SCILLIROSIDIN-3-O-ALPHA-L-THEVETOSIDO-1''->4'-BETA-D-GLUCOSIDE |
| Compound Number | 39 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H60O18 |
| InChI | InChI=1S/C41H60O18/c1-18-34(59-36-32(48)31(47)30(46)26(16-42)58-36)35(52-6)33(49)37(54-18)57-22-9-11-38(4)23(13-22)24(55-19(2)43)14-40(50)27(38)10-12-39(5)29(21-7-8-28(45)53-17-21)25(56-20(3)44)15-41(39,40)51/h7-8,17-18,22-27,29-37,42,46-51H,9-16H2,1-6H3/t18?,22-,23+,24+,25-,26-,27?,29?,30-,31+,32-,33?,34?,35?,36+,37?,38-,39+,40-,41+/m0/s1 |
| InChIKey | CCBIBXPDHZFLBE-NQENXVITSA-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 | 840.917 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWLU3403 |