SpectraBase Spectrum ID |
4h2NqpoodvO |
Name |
6a,7,8,9,10,11,11,12,12a-Octahydro-5-phenyl-5H-benzo[d]cycloocta[b]thiopyran S-oxide |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H24OS |
InChI |
InChI=1S/C21H24OS/c22-23-20-15-7-2-1-6-13-18(20)17-12-8-9-14-19(17)21(23)16-10-4-3-5-11-16/h3-5,8-12,14,18,20-21H,1-2,6-7,13,15H2/t18-,20+,21-,23?/m0/s1 |
InChIKey |
WBIYBNOFZMKSDA-MAOGNGOKSA-N |
Molecular Weight |
324.482 g/mol |
SMILES |
[C@@]1([S@+]([C@]2([C@](c3ccccc13)(CCCCCC2)[H])[H])[O-])(c1ccccc1)[H] |
SPLASH |
splash10-053l-9411000000-0ecfad303b02a1e12ade |
Source of Spectrum |
U-1997-192-30 |
Synonyms |
(5S,6aR,12aS)-5-phenyl-6a,7,8,9,10,11,12,12a-octahydro-5H-cycloocta[c][2]benzothiopyran 6-oxide
(5S,6S,6aR,12aS)-6a,7,8,9,10,11,11,12,12a-Octahydro-5-phenyl-5H-benzo[d]cycloocta[b]thiopyran S-oxide |
Wiley ID |
769413 |