| SpectraBase Compound ID | 4vQjCPtwm22 |
|---|---|
| InChI | InChI=1S/C27H36O6/c1-7-16(2)17(3)9-8-10-18(4)26(32)33-24-12-11-21(25(30)31)27(6)14-20(19(5)15-28)23(29)13-22(24)27/h8-10,13,15-17,20-21,24H,5,7,11-12,14H2,1-4,6H3,(H,30,31)/b9-8+,18-10+/t16?,17?,20-,21+,24+,27+/m0/s1 |
| InChIKey | PHXQNFSQKWPZCY-JVZQFBKBSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C27H36O6 |
| Exact Mass | 456.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7UmGIczK41 |
|---|---|
| Name | PHXQNFSQKWPZCY-JVZQFBKBSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O6 |
| InChI | InChI=1S/C27H36O6/c1-7-16(2)17(3)9-8-10-18(4)26(32)33-24-12-11-21(25(30)31)27(6)14-20(19(5)15-28)23(29)13-22(24)27/h8-10,13,15-17,20-21,24H,5,7,11-12,14H2,1-4,6H3,(H,30,31)/b9-8+,18-10+/t16?,17?,20-,21+,24+,27+/m0/s1 |
| InChIKey | PHXQNFSQKWPZCY-JVZQFBKBSA-N |
| Literature Reference Author | Y.SONG,J.WANG,H.HUANG,L.MA,J.WANG,Y.GU,L.LIU,Y.LIN |
| Literature Reference Citation | MAR.DRUGS,10,340(2012) |
| Literature Reference DOI | 10.3390/md10020340 |
| Molecular Weight | 456.579 g/mol |
| Source File Reference | UWIR5624 |