| SpectraBase Spectrum ID |
3icggtypwlT |
| Name |
(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(4-methoxyphenyl)-2-[(1R,2S)-2-(3-methylbut-2-enyl)-3-oxidanylidene-cyclohexyl]ethanenitrile |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H42N2O4 |
| InChI |
InChI=1S/C33H42N2O4/c1-23(2)15-20-27-28(13-10-14-30(27)36)33(22-34,25-16-18-26(37-6)19-17-25)35(5)29-21-38-32(3,4)39-31(29)24-11-8-7-9-12-24/h7-9,11-12,15-19,27-29,31H,10,13-14,20-21H2,1-6H3/t27-,28+,29-,31-,33-/m0/s1 |
| InChIKey |
VLIZKJCYXPNILH-LAPXZZPYSA-N |
| Molecular Weight |
530.709 g/mol |
| SMILES |
[C@@](N([C@@]1([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H])C)([C@]1([C@](CC=C(C)C)(C(=O)CCC1)[H])[H])(C#N)c1ccc(cc1)OC |
| SPLASH |
splash10-001i-8921500000-20de938143fe7f2659bd |
| Source of Spectrum |
SO-0-662-4 |
| Synonyms |
(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(4-methoxyphenyl)-2-[(1R,2S)-2-(3-methylbut-2-enyl)-3-oxo-cyclohexyl]acetonitrile
(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-[(1R,2S)-3-keto-2-(3-methylbut-2-enyl)cyclohexyl]-2-(4-methoxyphenyl)acetonitrile |
| Wiley ID |
873050 |
![(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(4-methoxyphenyl)-2-[(1R,2S)-2-(3-methylbut-2-enyl)-3-oxidanylidene-cyclohexyl]ethanenitrile](/api/spectrum/3icggtypwlT/structure.png?h=300&w=458 "(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(4-methoxyphenyl)-2-[(1R,2S)-2-(3-methylbut-2-enyl)-3-oxidanylidene-cyclohexyl]ethanenitrile")
