![(6aS)-5-chloro-8-hydroxy-8-(2-hydroxy-1-methyl-propyl)-6-keto-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-9,9a-dihydrofuro[5,4-h]isochromene-9-carboxylic acid](/api/spectrum/IziZOxSNs9V/structure.png?h=300&w=458 "(6aS)-5-chloro-8-hydroxy-8-(2-hydroxy-1-methyl-propyl)-6-keto-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-9,9a-dihydrofuro[5,4-h]isochromene-9-carboxylic acid")
| SpectraBase Compound ID | 8bUy0UPW03y |
|---|---|
| InChI | InChI=1S/C23H29ClO7/c1-6-11(2)7-8-14-9-15-16(10-30-14)17-18(21(27)28)23(29,12(3)13(4)25)31-22(17,5)20(26)19(15)24/h7-13,17-18,25,29H,6H2,1-5H3,(H,27,28)/b8-7+/t11-,12?,13?,17?,18?,22-,23?/m0/s1 |
| InChIKey | TVZGDEYWRLMKPX-WBWGJDIESA-N |
| Mol Weight | 452.93 g/mol |
| Molecular Formula | C23H29ClO7 |
| Exact Mass | 452.160181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IziZOxSNs9V |
|---|---|
| Name | (6aS)-5-chloro-8-hydroxy-8-(2-hydroxy-1-methyl-propyl)-6-keto-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-9,9a-dihydrofuro[5,4-h]isochromene-9-carboxylic acid |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H29ClO7 |
| InChI | InChI=1S/C23H29ClO7/c1-6-11(2)7-8-14-9-15-16(10-30-14)17-18(21(27)28)23(29,12(3)13(4)25)31-22(17,5)20(26)19(15)24/h7-13,17-18,25,29H,6H2,1-5H3,(H,27,28)/b8-7+/t11-,12?,13?,17?,18?,22-,23?/m0/s1 |
| InChIKey | TVZGDEYWRLMKPX-WBWGJDIESA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2008) |
| Molecular Weight | 452.932 g/mol |
| Source File Reference | MHKO18088 |