| SpectraBase Compound ID | 50iho11RwHu |
|---|---|
| InChI | InChI=1S/C42H68O14.K/c1-37(2)14-15-42(19-44)21(16-37)20-8-9-24-39(5)12-11-26(38(3,4)23(39)10-13-40(24,6)41(20,7)17-25(42)45)54-36-31(50)32(30(49)33(56-36)34(51)52)55-35-29(48)28(47)27(46)22(18-43)53-35;/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52);/q;+1/p-1/t21?,22-,23?,24?,25+,26+,27-,28+,29-,30+,31-,32+,33+,35+,36-,39+,40-,41-,42-;/m1./s1 |
| InChIKey | QEHGOYIGGKMCOQ-WQUBVNAISA-M |
| Mol Weight | 835.1 g/mol |
| Molecular Formula | C42H67KO14 |
| Exact Mass | 834.416788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K0W2a1899Ty |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H67KO14 |
| InChI | InChI=1S/C42H68O14.K/c1-37(2)14-15-42(19-44)21(16-37)20-8-9-24-39(5)12-11-26(38(3,4)23(39)10-13-40(24,6)41(20,7)17-25(42)45)54-36-31(50)32(30(49)33(56-36)34(51)52)55-35-29(48)28(47)27(46)22(18-43)53-35;/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52);/q;+1/p-1/t21?,22-,23?,24?,25+,26+,27-,28+,29-,30+,31-,32+,33+,35+,36-,39+,40-,41-,42-;/m1./s1 |
| InChIKey | QEHGOYIGGKMCOQ-WQUBVNAISA-M |
| Literature Reference Author | W.YE,X.LIN,Q.ZHANG,C.T.CHE,S.ZHAO |
| Literature Reference Citation | J.NAT.PROD.,64,232(2001) |
| Literature Reference DOI | 10.1021/np0004451 |
| Molecular Weight | 835.084 g/mol |
| Solvent | PYRIDINE-D5 |