| SpectraBase Compound ID | 2iX6aHvDuLs |
|---|---|
| InChI | InChI=1S/C34H59NO9/c1-11-12-13-21(4)32(44-34(35)42)25(8)30(39)23(6)17-19(2)16-22(5)29(38)20(3)14-15-27(36)18-28(37)24(7)31(40)26(9)33(41)43-10/h11-16,20-32,36-40H,1,17-18H2,2-10H3,(H2,35,42)/b13-12+,15-14+,19-16+/t20-,21+,22+,23+,24-,25+,26+,27+,28-,29+,30-,31+,32+/m0/s1 |
| InChIKey | GPKZIPFJIWJNOK-GXLVLTJNSA-N |
| Mol Weight | 625.8 g/mol |
| Molecular Formula | C34H59NO9 |
| Exact Mass | 625.418982 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wOBwrNEMBV |
|---|---|
| Name | 5-HYDROXYMETHYLDISCODERMOLATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H59NO9 |
| InChI | InChI=1S/C34H59NO9/c1-11-12-13-21(4)32(44-34(35)42)25(8)30(39)23(6)17-19(2)16-22(5)29(38)20(3)14-15-27(36)18-28(37)24(7)31(40)26(9)33(41)43-10/h11-16,20-32,36-40H,1,17-18H2,2-10H3,(H2,35,42)/b13-12+,15-14+,19-16+/t20-,21+,22+,23+,24-,25+,26+,27+,28-,29+,30-,31+,32+/m0/s1 |
| InChIKey | GPKZIPFJIWJNOK-GXLVLTJNSA-N |
| Literature Reference Author | S.P.GUNASEKERA,G.K.PAUL,R.E.LONGLEY,R.A.ISBRUCKER,S.A.POMPON I |
| Literature Reference Citation | J.NAT.PROD.,65,1643(2002) |
| Literature Reference DOI | 10.1021/np020219m |
| Molecular Weight | 625.844 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWSI7235 |