| SpectraBase Spectrum ID |
1Le8GF9aBCe |
| Name |
(3aR,6R,7R,7aS)-7-hydroxy-2,2-dimethyl-6-(phenylthio)-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester |
| Alternate Name(s) |
Methyl (3aR,6R,7R,7aS)-2,2-dimethyl-7-oxidanyl-6-phenylsulfanyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate |
| CAS Registry Number |
130272-26-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20O5S |
| InChI |
InChI=1S/C17H20O5S/c1-17(2)21-12-9-11(16(19)20-3)15(13(18)14(12)22-17)23-10-7-5-4-6-8-10/h4-9,12-15,18H,1-3H3/t12-,13-,14-,15-/m1/s1 |
| InChIKey |
JJTZGSNLGIIYGF-KBUPBQIOSA-N |
| Molecular Weight |
336.402 g/mol |
| SMILES |
O[C@]1([C@@](C(=C[C@@]2([C@]1(OC(O2)(C)C)[H])[H])C(=O)OC)(Sc1ccccc1)[H])[H] |
| SPLASH |
splash10-000i-0229000000-59e5618c8460ff863752 |
| Source of Spectrum |
F-46-3986-7 |
| Wiley ID |
1332229 |
