| SpectraBase Compound ID | DVVd6hbyFlq |
|---|---|
| InChI | InChI=1S/C27H36O8/c1-23(2)17(11-20(29)32-6)25(4)16-7-9-24(3)22(15-8-10-33-14-15)34-21(30)13-27(24,26(16,5)31)35-19(25)12-18(23)28/h8,10,14,16-17,19,22,31H,7,9,11-13H2,1-6H3/t16-,17+,19+,22+,24+,25-,26-,27-/m1/s1 |
| InChIKey | AJGPLSFXCODLPT-PQNFZEBCSA-N |
| Mol Weight | 488.6 g/mol |
| Molecular Formula | C27H36O8 |
| Exact Mass | 488.241018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Uas2wRRxFC |
|---|---|
| Name | METHYL-8-ALPHA-HYDROXY-8,30-DIHYDRO-ANGOLENSATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O8 |
| InChI | InChI=1S/C27H36O8/c1-23(2)17(11-20(29)32-6)25(4)16-7-9-24(3)22(15-8-10-33-14-15)34-21(30)13-27(24,26(16,5)31)35-19(25)12-18(23)28/h8,10,14,16-17,19,22,31H,7,9,11-13H2,1-6H3/t16-,17+,19+,22+,24+,25-,26-,27-/m1/s1 |
| InChIKey | AJGPLSFXCODLPT-PQNFZEBCSA-N |
| Literature Reference Author | X.N.WANG,C.Q.FAN,S.YIN,L.S.GAN,J.M.YUE |
| Literature Reference Citation | PHYTOCHEM.,69,1319(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.01.018 |
| Molecular Weight | 488.578 g/mol |
| Sample ID | 44027 |
| Solvent | CDCl3 |