| SpectraBase Spectrum ID |
KgZ6NQiB3md |
| Name |
rac-(2R*)-2-{(5S*,7aR*)-[5-Hydroxy-7a-methyl-4-(phenylthio)-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl]}-6-methylhept-6-enyl toluene-4-sulfonate |
| Alternate Name(s) |
4-Methylbenzenesulfonic acid [(2R)-2-[(5S,7aR)-5-hydroxy-7a-methyl-4-(phenylthio)-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methylhept-6-enyl] ester
[(2R)-2-[(5S,7aR)-5-hydroxy-7a-methyl-4-phenylsulfanyl-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methylhept-6-enyl] 4-methylbenzenesulfonate
[(2R)-2-[(5S,7aR)-5-hydroxy-7a-methyl-4-phenylsulfanyl-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methyl-hept-6-enyl] 4-methylbenzenesulfonate
[(2R)-2-[(5S,7aR)-7a-methyl-5-oxidanyl-4-phenylsulfanyl-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methyl-hept-6-enyl] 4-methylbenzenesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H40O4S2 |
| InChI |
InChI=1S/C31H40O4S2/c1-22(2)9-8-10-24(21-35-37(33,34)26-15-13-23(3)14-16-26)27-17-18-28-30(29(32)19-20-31(27,28)4)36-25-11-6-5-7-12-25/h5-7,11-16,24,27,29,32H,1,8-10,17-21H2,2-4H3/t24-,27?,29-,31+/m0/s1 |
| InChIKey |
NJRHGTDWIRUMAA-KKLBQJAISA-N |
| Molecular Weight |
540.777 g/mol |
| SMILES |
O[C@@]1(C(=C2[C@@](C([C@](COS(c3ccc(cc3)C)(=O)=O)(CCCC(=C)C)[H])CC2)(CC1)C)Sc1ccccc1)[H] |
| SPLASH |
splash10-0006-7810290000-00ab96e3b67e6699c3f4 |
| Source of Spectrum |
U1-2002-2734-28 |
| Wiley ID |
1522869 |
![rac-(2R*)-2-{(5S*,7aR*)-[5-Hydroxy-7a-methyl-4-(phenylthio)-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl]}-6-methylhept-6-enyl toluene-4-sulfonate](/api/spectrum/KgZ6NQiB3md/structure.png?h=300&w=458 "rac-(2R*)-2-{(5S*,7aR*)-[5-Hydroxy-7a-methyl-4-(phenylthio)-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl]}-6-methylhept-6-enyl toluene-4-sulfonate")
