YUKNZVXOUVLQIU-KQKDVCEFSA-N
Compound with spectra: 1 NMR
| SpectraBase Compound ID | DDcgbyFPkp9 |
|---|---|
| InChI | InChI=1S/C30H40N2O7S/c1-18-9-8-12-30(3)14-25-21(13-23(18)30)22(28(35)39-25)16-40-17-24(26(33)31-19(2)27(34)37-4)32-29(36)38-15-20-10-6-5-7-11-20/h5-7,10-11,13,18-19,21-22,24-25H,8-9,12,14-17H2,1-4H3,(H,31,33)(H,32,36)/t18-,19?,21?,22?,24?,25?,30+/m1/s1 |
| InChIKey | YUKNZVXOUVLQIU-KQKDVCEFSA-N |
| Mol Weight | 572.7 g/mol |
| Molecular Formula | C30H40N2O7S |
| Exact Mass | 572.255623 g/mol |
| Enantiomer InChIKey | YUKNZVXOUVLQIU-SQBXKTJYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
(3aR,5S,8aR,9aR)-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
(3aR,5S,8aR,9aR)-3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
(3aR,5S,8aR,9aR)-3-[[[2-(2-furanylmethyl)cyclohexyl]amino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
(3aR,5S,8aR,9aR)-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
(3aR,5S,8aR,9aR)-3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
(3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
Benzo[f]benzofuran-2(3H)-one, 3-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-3a,7,8,8a,9,9a-hexahydro-5,8a-dimethyl-
3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
(3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
| Title | Journal or Book | Year |
|---|---|---|
| Structure of the Adduct of Alantolactone with (Z)-L-Cys-Ala-OMe;1H and13C Assignment of the Alantolactone Moiety by NMR at 14 T | Magnetic Resonance in Chemistry | 1996 |
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.