| SpectraBase Compound ID | 9NJgd2g5S1r |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-11(2)18-15-8-17(22)12(3)14-6-7-20(24,10-26-5)16(14)9-21(15,25)13(4)19(18)23/h9,11-14,17,22,24-25H,6-8,10H2,1-5H3/b16-9+/t12-,13-,14?,17+,20+,21-/m1/s1 |
| InChIKey | CZLKIWRMFVENLG-GOZDFVLWSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 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 | I3hXvT9BkaC |
|---|---|
| Name | BRASSICICENE-G |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-11(2)18-15-8-17(22)12(3)14-6-7-20(24,10-26-5)16(14)9-21(15,25)13(4)19(18)23/h9,11-14,17,22,24-25H,6-8,10H2,1-5H3/b16-9+/t12-,13-,14?,17+,20+,21-/m1/s1 |
| InChIKey | CZLKIWRMFVENLG-GOZDFVLWSA-N |
| Literature Reference Author | M.S.C.PEDRAS,P.B.CHUMALA,W.JIN,M.S.ISLAM,D.W.HAUCK |
| Literature Reference Citation | PHYTOCHEM.,70,394(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.01.005 |
| Molecular Weight | 364.482 g/mol |
| Sample ID | 64564 |
| Solvent | CDCl3 |