| SpectraBase Compound ID | 80293xv94C9 |
|---|---|
| InChI | InChI=1S/C42H62O19/c1-18-34(60-38-33(52)30(49)35(24(16-44)59-38)61-37-31(50)28(47)27(46)23(15-43)58-37)29(48)32(51)36(56-18)57-21-7-10-39(2)20(14-21)6-12-41(53)25(39)9-11-40(3)22(8-13-42(40,41)54)19-4-5-26(45)55-17-19/h4-5,14,17-18,21-25,27-38,43-44,46-54H,6-13,15-16H2,1-3H3/t18-,21-,22?,23+,24-,25+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37-,38+,39-,40+,41-,42+/m0/s1 |
| InChIKey | BMHJEPXNAGKKNO-HKALWBNVSA-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 | 8PTZ27IiXUi |
|---|---|
| Name | SCILLIRUBROSIDIN-3-O-ALPHA-L-RHAMNOSIDO-1''->4'-BETA-D-GLUCOSIDO-1'''->4''-BETA-D-GLUCOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62O19 |
| InChI | InChI=1S/C42H62O19/c1-18-34(60-38-33(52)30(49)35(24(16-44)59-38)61-37-31(50)28(47)27(46)23(15-43)58-37)29(48)32(51)36(56-18)57-21-7-10-39(2)20(14-21)6-12-41(53)25(39)9-11-40(3)22(8-13-42(40,41)54)19-4-5-26(45)55-17-19/h4-5,14,17-18,21-25,27-38,43-44,46-54H,6-13,15-16H2,1-3H3/t18-,21-,22?,23+,24-,25+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37-,38+,39-,40+,41-,42+/m0/s1 |
| InChIKey | BMHJEPXNAGKKNO-HKALWBNVSA-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 | UWLU3382 |