SpectraBase Spectrum ID |
DZtHsq1o8Eh |
Name |
(2S)-2-[(2R,4aR,5R,7S)-7-hydroxy-4a,8-dimethyl-5-(phenylthio)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoic acid methyl ester |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H30O3S |
InChI |
InChI=1S/C22H30O3S/c1-14(21(24)25-4)16-10-11-22(3)18(12-16)15(2)19(23)13-20(22)26-17-8-6-5-7-9-17/h5-9,14,16,19-20,23H,10-13H2,1-4H3/t14-,16+,19-,20+,22+/m0/s1 |
InChIKey |
HSQWGPMIPCZARO-USOGFMSHSA-N |
Molecular Weight |
374.539 g/mol |
SMILES |
O[C@@]1(C(=C2[C@]([C@](Sc3ccccc3)(C1)[H])(CC[C@](C2)([C@@](C(=O)OC)(C)[H])[H])C)C)[H] |
SPLASH |
splash10-0a4i-0961000000-74515376da2de0aa0254 |
Source of Spectrum |
F-68-4426-4 |
Synonyms |
(2S)-2-[(2R,4aR,5R,7S)-7-hydroxy-4a,8-dimethyl-5-(phenylthio)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propionic acid methyl ester
Methyl (2S)-2-[(2R,4aR,5R,7S)-4a,8-dimethyl-7-oxidanyl-5-phenylsulfanyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoate
Methyl (2S)-2-[(2R,4aR,5R,7S)-7-hydroxy-4a,8-dimethyl-5-phenylsulfanyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propanoate |
Wiley ID |
1572611 |