SpectraBase Spectrum ID |
622Sj9rveWc |
Name |
(3R,3aS,7aS)-5',5'-Dimethyl-7a-(((S)-N-methyl-S-phenylsulfonimidoyl)methyl)hexahydro-2H-spiro[benzofuran-5,2'-[1,3]dioxan]-3-ol |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H31NO5S |
InChI |
InChI=1S/C21H31NO5S/c1-19(2)13-26-21(27-14-19)10-9-20(17(11-21)18(23)12-25-20)15-28(24,22-3)16-7-5-4-6-8-16/h4-8,17-18,23H,9-15H2,1-3H3/t17-,18-,20+,28+/m0/s1 |
InChIKey |
DFHVUYYCRXFNNH-MRSNEKLCSA-N |
Literature Reference DOI |
10.1021/ol0627606 |
Molecular Weight |
409.541 g/mol |
SMILES |
O[C@]1(CO[C@@]2(C[S@@](c3ccccc3)(=NC)=O)CCC3(OCC(CO3)(C)C)C[C@@]12[H])[H] |
SPLASH |
splash10-0a6r-1910000000-cf7c2a31ebf20cf73de3 |
Source of Spectrum |
A1-9-579/SMS5-17a |
Synonyms |
(3R,3aS,7aS)-5',5'-dimethyl-7a-(((R)-N-methylphenylsulfonimidoyl)methyl)hexahydro-2H-spiro[benzofuran-5,2'-[1,3]dioxan]-3-ol |
Wiley ID |
1760152 |