| SpectraBase Compound ID | Kq5TSmZRcUZ |
|---|---|
| InChI | InChI=1S/C42H62O19/c1-17-35(60-39-34(53)31(50)36(25(15-44)59-39)61-38-32(51)29(48)28(47)24(14-43)58-38)30(49)33(52)37(56-17)57-20-8-10-40(2)19(12-20)5-6-22-21(40)9-11-41(3)27(23(45)13-42(22,41)54)18-4-7-26(46)55-16-18/h4,7,12,16-17,20-25,27-39,43-45,47-54H,5-6,8-11,13-15H2,1-3H3/t17-,20-,21-,22+,23-,24+,25-,27?,28+,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39+,40-,41+,42-/m0/s1 |
| InChIKey | HWECQUOPOQIEBY-YKKKFYKKSA-N |
| Mol Weight | 870.9 g/mol |
| Molecular Formula | C42H62O19 |
| Exact Mass | 870.38853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Crcbo4S1mLT |
|---|---|
| Name | 16-BETA-HYDROXY-GLUCOSCILLAREN-A;16-BETA-HYDROXY-SCILLARENIN-3-O-ALPHA-L-RHAMNOSIDO-1''->4'-BETA-D-GLUCOSIDO-1'''->4''-BETA-D-GLUCOSIDE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62O19 |
| InChI | InChI=1S/C42H62O19/c1-17-35(60-39-34(53)31(50)36(25(15-44)59-39)61-38-32(51)29(48)28(47)24(14-43)58-38)30(49)33(52)37(56-17)57-20-8-10-40(2)19(12-20)5-6-22-21(40)9-11-41(3)27(23(45)13-42(22,41)54)18-4-7-26(46)55-16-18/h4,7,12,16-17,20-25,27-39,43-45,47-54H,5-6,8-11,13-15H2,1-3H3/t17-,20-,21-,22+,23-,24+,25-,27?,28+,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39+,40-,41+,42-/m0/s1 |
| InChIKey | HWECQUOPOQIEBY-YKKKFYKKSA-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 | 870.943 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWLU3387 |