| SpectraBase Spectrum ID |
Ah2eXzyoWKu |
| Name |
2-[(2R,4aR,5R)-4a,8-dimethyl-7-oxo-5-(phenylthio)-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propanoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O3S |
| InChI |
InChI=1S/C22H28O3S/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/h5-9,14,16,20H,10-13H2,1-4H3/t14?,16-,20-,22-/m1/s1 |
| InChIKey |
IZQPJUSBCMIOGU-SKIBPDHRSA-N |
| Molecular Weight |
372.523 g/mol |
| SMILES |
C=12[C@]([C@](Sc3ccccc3)(CC(C1C)=O)[H])(CC[C@](C2)(C(C(=O)OC)C)[H])C |
| SPLASH |
splash10-004i-0902000000-37379e5f7ddd92ee9753 |
| Source of Spectrum |
AT-32-3416-5 |
| Synonyms |
2-[(2R,4aR,5R)-7-keto-4a,8-dimethyl-5-(phenylthio)-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propionic acid methyl ester
methyl 2-[(2R,4aR,5R)-4a,8-dimethyl-7-oxidanylidene-5-phenylsulfanyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propanoate
methyl 2-[(2R,4aR,5R)-4a,8-dimethyl-7-oxo-5-phenylsulfanyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propanoate |
| Wiley ID |
836020 |
![2-[(2R,4aR,5R)-4a,8-dimethyl-7-oxo-5-(phenylthio)-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propanoic acid methyl ester](/api/spectrum/Ah2eXzyoWKu/structure.png?h=300&w=458 "2-[(2R,4aR,5R)-4a,8-dimethyl-7-oxo-5-(phenylthio)-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propanoic acid methyl ester")
