SpectraBase Spectrum ID |
15J6axkmIa |
Name |
(3aR,6S,7S,7aS)-7-hydroxy-2,2-dimethyl-6-(phenylthio)-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester |
CAS Registry Number |
130177-65-0 |
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-BARDWOONSA-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 |
splash10-01p9-0904000000-cf6a7b2acfb8770919c0 |
Source of Spectrum |
F-46-3987-8 |
Synonyms |
Methyl (3aR,6S,7S,7aS)-2,2-dimethyl-7-oxidanyl-6-phenylsulfanyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate |
Wiley ID |
1332228 |