| SpectraBase Compound ID | BXob15tcv8i |
|---|---|
| InChI | InChI=1S/C38H54O20/c1-38(51,12-28(42)43)13-29(44)54-17-27-31(46)33(48)35(50)37(58-27)56-16-21(9-19-5-7-23(41)25(11-19)53-3)20(8-18-4-6-22(40)24(10-18)52-2)15-55-36-34(49)32(47)30(45)26(14-39)57-36/h4-7,10-11,20-21,26-27,30-37,39-41,45-51H,8-9,12-17H2,1-3H3,(H,42,43)/t20-,21+,26-,27+,30-,31+,32+,33-,34-,35+,36-,37+,38?/m1/s1 |
| InChIKey | VGZBSVLZAQPYAD-DRPPXFTRSA-N |
| Mol Weight | 830.8 g/mol |
| Molecular Formula | C38H54O20 |
| Exact Mass | 830.320844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QhGLACwcgp |
|---|---|
| Name | 6A-HMG-SDG;6A-HYDROXYMETHYLGLUTARYL-SECOISOLARICIRESINOL-DIGLUCOSIDE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H54O20 |
| InChI | InChI=1S/C38H54O20/c1-38(51,12-28(42)43)13-29(44)54-17-27-31(46)33(48)35(50)37(58-27)56-16-21(9-19-5-7-23(41)25(11-19)53-3)20(8-18-4-6-22(40)24(10-18)52-2)15-55-36-34(49)32(47)30(45)26(14-39)57-36/h4-7,10-11,20-21,26-27,30-37,39-41,45-51H,8-9,12-17H2,1-3H3,(H,42,43)/t20-,21+,26-,27+,30-,31+,32+,33-,34-,35+,36-,37+,38?/m1/s1 |
| InChIKey | VGZBSVLZAQPYAD-DRPPXFTRSA-N |
| Literature Reference Author | J.D.FORD,K.S.HUANG,H.B.WANG,L.B.DAVIN,N.G.LEWIS |
| Literature Reference Citation | J.NAT.PROD.,64,1388(2001) |
| Literature Reference DOI | 10.1021/np010367x |
| Molecular Weight | 830.835 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2203 |