| SpectraBase Spectrum ID |
KS0NFtWRCsi |
| Name |
2,3-Pyridinediol, 1-acetyl-1,2,3,6-tetrahydro-3,5-dimethyl-6-(tricyclo[3.3.1.1(3,7)]dec-1 -ylthio)-, 2-acetate |
| CAS Registry Number |
68764-28-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31NO4S |
| InChI |
InChI=1S/C21H31NO4S/c1-12-8-20(4,25)19(26-14(3)24)22(13(2)23)18(12)27-21-9-15-5-16(10-21)7-17(6-15)11-21/h8,15-19,25H,5-7,9-11H2,1-4H3/t15-,16+,17?,18?,19?,20?,21- |
| InChIKey |
DBXHSJYAXIVPQY-SEOIHDEPSA-N |
| Molecular Weight |
393.542 g/mol |
| SMILES |
OC1(C(N(C(C(=C1)C)S[C@]12CC3C[C@@](C2)(C[C@@](C1)(C3)[H])[H])C(=O)C)OC(=O)C)C |
| SPLASH |
splash10-00di-0900000000-39993705eeb0bfbb2e52 |
| Source of Spectrum |
Y-15-791-0 |
| Synonyms |
2-Acetoxy-1-acetyl-6-(1-adamantyl)thio-3-hydroxy-3,5-dimethyl-1,2,3,6-tetrahydropyridine (isomer)
1-acetyl-6-(1-adamantylsulfanyl)-3-hydroxy-3,5-dimethyl-1,2,3,6-tetrahydro-2-pyridinyl acetate
2-Acetoxy-1-acetyl-6-(1-adamantyl)thio-3-hydroxy-3,5-dimethyl-1,2,3,6-tetrahydropyridine
acetic acid[1-acetyl-6-(1-adamantylthio)-3-hydroxy-3,5-dimethyl-2,6-dihydropyridin-2-yl]ester
[1-acetyl-6-(1-adamantylsulfanyl)-3-hydroxy-3,5-dimethyl-2,6-dihydropyridin-2-yl]acetate
[1-acetyl-6-(1-adamantylsulfanyl)-3-hydroxy-3,5-dimethyl-2,6-dihydropyridin-2-yl] acetate
[6-(1-adamantylsulfanyl)-1-ethanoyl-3,5-dimethyl-3-oxidanyl-2,6-dihydropyridin-2-yl]ethanoate
[6-(1-adamantylsulfanyl)-1-ethanoyl-3,5-dimethyl-3-oxidanyl-2,6-dihydropyridin-2-yl] ethanoate |
| Wiley ID |
1366261 |
![2,3-Pyridinediol, 1-acetyl-1,2,3,6-tetrahydro-3,5-dimethyl-6-(tricyclo[3.3.1.1(3,7)]dec-1 -ylthio)-, 2-acetate](/api/spectrum/KS0NFtWRCsi/structure.png?h=300&w=458 "2,3-Pyridinediol, 1-acetyl-1,2,3,6-tetrahydro-3,5-dimethyl-6-(tricyclo[3.3.1.1(3,7)]dec-1 -ylthio)-, 2-acetate")
