| SpectraBase Spectrum ID |
Pfl23I7yhB |
| Name |
4H-Cyclohepta-1,3-dioxole-5-carboxylic acid, 3a,5,6,8a-tetrahydro-2,2,6-trimethyl-, 1,1-dimethylethyl ester, [3aS-(3a.alpha.,5.alpha.,6.beta.,8a.alpha.)]- |
| CAS Registry Number |
77761-78-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24O5 |
| InChI |
InChI=1S/C16H24O5/c1-9-7-8-10-13(20-16(5,6)19-10)12(17)11(9)14(18)21-15(2,3)4/h7-11,13H,1-6H3/t9-,10+,11+,13+/m1/s1 |
| InChIKey |
GQBKHYWHNJHZNX-BLFANLJRSA-N |
| Molecular Weight |
296.363 g/mol |
| SMILES |
C1([C@@](C(OC(C)(C)C)=O)([C@@](C=C[C@]2([C@@]1(OC(C)(C)O2)[H])[H])(C)[H])[H])=O |
| SPLASH |
splash10-0006-9000000000-6538e9e6091739b877d3 |
| Source of Spectrum |
C-103-7570-0 |
| Synonyms |
2(S)-carbo-tert-butoxy-6(S),7(S)-isopropylidenedioxy-3(R)-methylcyclohept-4-enone
tert-Butyl (3aS,5S,6R,8aS)-2,2,6-trimethyl-4-oxo-4,5,6,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxole-5-carboxylate |
| Wiley ID |
1299016 |
![4H-Cyclohepta-1,3-dioxole-5-carboxylic acid, 3a,5,6,8a-tetrahydro-2,2,6-trimethyl-, 1,1-dimethylethyl ester, [3aS-(3a.alpha.,5.alpha.,6.beta.,8a.alpha.)]-](/api/spectrum/Pfl23I7yhB/structure.png?h=300&w=458 "4H-Cyclohepta-1,3-dioxole-5-carboxylic acid, 3a,5,6,8a-tetrahydro-2,2,6-trimethyl-, 1,1-dimethylethyl ester, [3aS-(3a.alpha.,5.alpha.,6.beta.,8a.alpha.)]-")
