SpectraBase Spectrum ID |
91Jt41Hm9Qs |
Name |
(4aS,8aR)-1-keto-6-methyl-2-tosyl-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid benzyl ester |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C25H27NO5S |
InChI |
InChI=1S/C25H27NO5S/c1-18-8-10-22(11-9-18)32(29,30)26-15-13-21-16-19(2)12-14-25(21,23(26)27)24(28)31-17-20-6-4-3-5-7-20/h3-12,21H,13-17H2,1-2H3/t21-,25-/m1/s1 |
InChIKey |
GPPMBDTWYFWGTR-PXDATVDWSA-N |
Molecular Weight |
453.553 g/mol |
SMILES |
c1(S(N2C([C@@]3(C(OCc4ccccc4)=O)CC=C(C[C@]3(CC2)[H])C)=O)(=O)=O)ccc(cc1)C |
SPLASH |
splash10-00kf-9218000000-2a1a0847334616d2d060 |
Source of Spectrum |
F-56-4036-23 |
Synonyms |
(4aS,8aR)-6-methyl-2-(4-methylphenyl)sulfonyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid (phenylmethyl) ester
(phenylmethyl) (4aS,8aR)-6-methyl-2-(4-methylphenyl)sulfonyl-1-oxidanylidene-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate
benzyl (4aS,8aR)-6-methyl-1-oxo-2-(p-tolylsulfonyl)-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate
benzyl (4aS,8aR)-6-methyl-2-(4-methylphenyl)sulfonyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate |
Wiley ID |
857278 |