| SpectraBase Spectrum ID |
27NijX253RE |
| Name |
3,4-pyridinediol, 1-acetyl-1,2,3,4-tetrahydro-3-methyl-2-(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, (2.alpha.,3.beta.,4.beta.)- |
| Alternate Name(s) |
(2R,3S,4S)-1-acetyl-2-(1-adamantylsulfanyl)-3-methyl-1,2,3,4-tetrahydro-3,4-pyridinediol |
| CAS Registry Number |
94957-84-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NO3S |
| InChI |
InChI=1S/C18H27NO3S/c1-11(20)19-4-3-15(21)17(2,22)16(19)23-18-8-12-5-13(9-18)7-14(6-12)10-18/h3-4,12-16,21-22H,5-10H2,1-2H3/t12-,13+,14-,15-,16+,17-,18-/m0/s1 |
| InChIKey |
IYAITFGDSZOSTJ-FUZWODELSA-N |
| Molecular Weight |
337.478 g/mol |
| SMILES |
O[C@@]1([C@](N(C=C[C@@]1(O)[H])C(=O)C)(SC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])[H])C |
| SPLASH |
splash10-0w4u-2900000000-4f9991b07ecdc9841ed5 |
| Source of Spectrum |
J-50-1000-6 |
| Wiley ID |
1333070 |
![3,4-pyridinediol, 1-acetyl-1,2,3,4-tetrahydro-3-methyl-2-(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, (2.alpha.,3.beta.,4.beta.)-](/api/spectrum/27NijX253RE/structure.png?h=300&w=458 "3,4-pyridinediol, 1-acetyl-1,2,3,4-tetrahydro-3-methyl-2-(tricyclo[3.3.1.1(3,7)]dec-1-ylthio)-, (2.alpha.,3.beta.,4.beta.)-")
