| SpectraBase Spectrum ID |
77tL5eQmMPT |
| Name |
Benzyl (1'S,2R,5R,6S)-2-(t-butyl)-5-(1'-hydroxy-2',2'-dimethylpropyl)-6-methyl-4-methoxy-5,6-dihydro-2H-pyrimidine-1-carboxylate |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 752521 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H36N2O4 |
| InChI |
InChI=1S/C23H36N2O4/c1-15-17(18(26)22(2,3)4)19(28-8)24-20(23(5,6)7)25(15)21(27)29-14-16-12-10-9-11-13-16/h9-13,15,17-18,20,26H,14H2,1-8H3/t15-,17+,18-,20+/m0/s1 |
| InChIKey |
KYFCRJDYYCPGFA-ZNWBIBPKSA-N |
| Molecular Weight |
404.551 g/mol |
| SMILES |
O[C@@]([C@@]1(C(OC)=N[C@](N([C@]1(C)[H])C(OCc1ccccc1)=O)(C(C)(C)C)[H])[H])(C(C)(C)C)[H] |
| SPLASH |
splash10-0006-9232000000-3c11bf67d6b525958850 |
| Source of Spectrum |
U1-1999-352-34 |
| Synonyms |
benzyl (2R,5R,6S)-2-tert-butyl-5-[(1S)-1-hydroxy-2,2-dimethylpropyl]-4-methoxy-6-methyl-5,6-dihydro-1(2H)-pyrimidinecarboxylate
(2R,4S,5R)-2-tert-butyl-5-[(1S)-1-hydroxy-2,2-dimethylpropyl]-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylic acid (phenylmethyl) ester
benzyl (2R,4S,5R)-2-tert-butyl-5-[(1S)-1-hydroxy-2,2-dimethylpropyl]-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylate
benzyl (2R,4S,5R)-2-tert-butyl-5-[(1S)-1-hydroxy-2,2-dimethyl-propyl]-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylate
(phenylmethyl) (2R,4S,5R)-2-tert-butyl-5-[(1S)-2,2-dimethyl-1-oxidanyl-propyl]-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylate |
| Wiley ID |
1821195 |
