| SpectraBase Compound ID | ADmZst0741F |
|---|---|
| InChI | InChI=1S/C44H62O24/c1-43(59,13-31(47)48)15-33(51)63-19-29-35(53)37(55)39(57)41(67-29)65-17-23(9-21-5-7-25(45)27(11-21)61-3)24(10-22-6-8-26(46)28(12-22)62-4)18-66-42-40(58)38(56)36(54)30(68-42)20-64-34(52)16-44(2,60)14-32(49)50/h5-8,11-12,23-24,29-30,35-42,45-46,53-60H,9-10,13-20H2,1-4H3,(H,47,48)(H,49,50)/t23-,24+,29-,30+,35-,36+,37+,38-,39-,40+,41-,42+,43?,44? |
| InChIKey | CGAGPGOQPRKZLJ-NENPTMJVSA-N |
| Mol Weight | 975.0 g/mol |
| Molecular Formula | C44H62O24 |
| Exact Mass | 974.363103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcJGcqF0uka |
|---|---|
| Name | 6A,6A'-DI-HMG-SDG;6A,6A'-DIHYDROXYMETHYLGLUTARYL-SECOISOLARICIRESINOL-DIGLUCOSIDE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H62O24 |
| InChI | InChI=1S/C44H62O24/c1-43(59,13-31(47)48)15-33(51)63-19-29-35(53)37(55)39(57)41(67-29)65-17-23(9-21-5-7-25(45)27(11-21)61-3)24(10-22-6-8-26(46)28(12-22)62-4)18-66-42-40(58)38(56)36(54)30(68-42)20-64-34(52)16-44(2,60)14-32(49)50/h5-8,11-12,23-24,29-30,35-42,45-46,53-60H,9-10,13-20H2,1-4H3,(H,47,48)(H,49,50)/t23-,24+,29-,30+,35-,36+,37+,38-,39-,40+,41-,42+,43?,44? |
| InChIKey | CGAGPGOQPRKZLJ-NENPTMJVSA-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 | 974.962 g/mol |
| Solvent | DMSO |
| Source File Reference | UWSI2204 |