![1-ALPHA,2-BETA,3-ALPHA,6,8-ALPHA,14-BETA-HEXAHYDROXY-[4.2.1(10,30).1(1,4)]-TRICYCLOMELIAC-7-OATE;REFERENCES](/api/spectrum/BzuNKVFQqVx/structure.png?h=300&w=458 "1-ALPHA,2-BETA,3-ALPHA,6,8-ALPHA,14-BETA-HEXAHYDROXY-[4.2.1(10,30).1(1,4)]-TRICYCLOMELIAC-7-OATE;REFERENCES")
| SpectraBase Compound ID | IWGouxvRbt2 |
|---|---|
| InChI | InChI=1S/C27H36O11/c1-22-11-25(33)18(15(29)19(22)31)27(35)13(24(25,3)17(22)16(30)21(32)36-4)5-7-23(2)20(12-6-8-37-10-12)38-14(28)9-26(23,27)34/h6,8,10,13,15-20,29-31,33-35H,5,7,9,11H2,1-4H3/t13?,15-,16?,17+,18?,19+,20+,22+,23+,24-,25?,26-,27+/m1/s1 |
| InChIKey | ZZECVHGEQSZPJM-NUNIYFLJSA-N |
| Mol Weight | 536.6 g/mol |
| Molecular Formula | C27H36O11 |
| Exact Mass | 536.225762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BzuNKVFQqVx |
|---|---|
| Name | 1-ALPHA,2-BETA,3-ALPHA,6,8-ALPHA,14-BETA-HEXAHYDROXY-[4.2.1(10,30).1(1,4)]-TRICYCLOMELIAC-7-OATE;REFERENCES |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O11 |
| InChI | InChI=1S/C27H36O11/c1-22-11-25(33)18(15(29)19(22)31)27(35)13(24(25,3)17(22)16(30)21(32)36-4)5-7-23(2)20(12-6-8-37-10-12)38-14(28)9-26(23,27)34/h6,8,10,13,15-20,29-31,33-35H,5,7,9,11H2,1-4H3/t13?,15-,16?,17+,18?,19+,20+,22+,23+,24-,25?,26-,27+/m1/s1 |
| InChIKey | ZZECVHGEQSZPJM-NUNIYFLJSA-N |
| Literature Reference Author | H.ZHANG,J.TAN,D.V.DERVEER,X.WANG,M.J.WARGIVICH,F.CHEN |
| Literature Reference Citation | PHYTOCHEM.,70,294(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.12.004 |
| Molecular Weight | 536.576 g/mol |
| Sample ID | 64542 |
| Solvent | DMSO-D6 |