Compound Q&A

Are there alternatives to (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol (CAS: 1217467-39-4) in synthesis?

Answer

(1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
There are no widely known alternatives to (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol (CAS: 1217467-39-4) for synthesis due to its unique structure. However, similar isomers such as (1R,3Z) and (1R,3E) may be considered in alternative routes. Common alternative reagents include other cyclohexanols and indenes, but they may not yield the same compound.

About

English Name (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
Molecular Formula C28H41D3O2
Molecular Weight 415.68 g/mol
SMILES CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChIKey KJKIIUAXZGLUND-AJMWPXNJSA-N
Last Updated: 2025-12-26 17:17

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