| SpectraBase Compound ID | Eruf85csMR7 |
|---|---|
| InChI | InChI=1S/C40H44O20/c1-17-33(52-18(2)41)35(54-20(4)43)37(56-22(6)45)39(51-17)50-16-31-34(53-19(3)42)36(55-21(5)44)38(57-23(7)46)40(60-31)58-26-13-27(47)32-28(48)15-29(59-30(32)14-26)24-9-11-25(49-8)12-10-24/h9-15,17,31,33-40,47H,16H2,1-8H3/t17-,31-,33-,34-,35+,36+,37+,38-,39+,40-/m1/s1 |
| InChIKey | WEDUQPNCWUQHEM-JINPTAQOSA-N |
| Mol Weight | 844.8 g/mol |
| Molecular Formula | C40H44O20 |
| Exact Mass | 844.242594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FAB5FWHgwZS |
|---|---|
| Name | 5-HYDROXYHEXAACETYLLINARIN |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H44O20 |
| InChI | InChI=1S/C40H44O20/c1-17-33(52-18(2)41)35(54-20(4)43)37(56-22(6)45)39(51-17)50-16-31-34(53-19(3)42)36(55-21(5)44)38(57-23(7)46)40(60-31)58-26-13-27(47)32-28(48)15-29(59-30(32)14-26)24-9-11-25(49-8)12-10-24/h9-15,17,31,33-40,47H,16H2,1-8H3/t17-,31-,33-,34-,35+,36+,37+,38-,39+,40-/m1/s1 |
| InChIKey | WEDUQPNCWUQHEM-JINPTAQOSA-N |
| Literature Reference Author | J.QUINTIN,G.LEWIN |
| Literature Reference Citation | J.NAT.PROD.,67,1624(2004) |
| Literature Reference DOI | 10.1021/np040079b |
| Molecular Weight | 844.777 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ8158 |