| SpectraBase Spectrum ID |
62ONWbq7dWJ |
| Name |
1,3-Benzodioxole, 3a,6,7,7a-tetrahydro-2,2,3a,7-tetramethyl-5-(phenylsulfonyl)-, [3aS-(3a.alpha.,7.beta.,7a.alpha.)]- |
| Alternate Name(s) |
(1S,2R,6S)-2,6-dimethyl-4-(phenylsulfonyl)cyclohex-3-ene-1,2-diol-1,2-acetonide
(3aS,4S,7aS)-2,2,4,7a-tetramethyl-6-(phenylsulfonyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxole
(3aS,7S,7aS)-2,2,3a,7-tetramethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl phenyl sulfone |
| CAS Registry Number |
82796-49-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O4S |
| InChI |
InChI=1S/C17H22O4S/c1-12-10-14(22(18,19)13-8-6-5-7-9-13)11-17(4)15(12)20-16(2,3)21-17/h5-9,11-12,15H,10H2,1-4H3/t12-,15-,17-/m0/s1 |
| InChIKey |
UGZIXIRIXOABMJ-NUTKFTJISA-N |
| Molecular Weight |
322.419 g/mol |
| SMILES |
C1(S(=O)(=O)c2ccccc2)=C[C@@]2(OC(C)(C)O[C@]2([C@](C1)(C)[H])[H])C |
| SPLASH |
splash10-0a4i-0009000000-151172a283845f728cc4 |
| Source of Spectrum |
C-104-5736-0 |
| Wiley ID |
1321575 |
![1,3-Benzodioxole, 3a,6,7,7a-tetrahydro-2,2,3a,7-tetramethyl-5-(phenylsulfonyl)-, [3aS-(3a.alpha.,7.beta.,7a.alpha.)]-](/api/spectrum/62ONWbq7dWJ/structure.png?h=300&w=458 "1,3-Benzodioxole, 3a,6,7,7a-tetrahydro-2,2,3a,7-tetramethyl-5-(phenylsulfonyl)-, [3aS-(3a.alpha.,7.beta.,7a.alpha.)]-")
