(-)-Juvabione
Basic information
- CAS
17904-27-7- Standard SMILES
COC(=O)C1=CCC(C(C)CC(=O)CC(C)C)CC1- InChIKey
IIWNDLDEVPJIBT-UHFFFAOYSA-N- Molecular formula
- C16H26O3
- Average molar mass
- 266.38 g/mol
- Monoisotopic mass
- 266.18819469
Overview
1-Cyclohexene-1-carboxylic acid, 4-((1R)-1,5-dimethyl-3-oxohexyl)-, methyl ester, (4R)- has been reported in Abies alba, Abies balsamea, and Abies lasiocarpa with data available.
Names & identifiers
- Preferred name
- (-)-Juvabione
- IUPAC
- methyl 4-(6-methyl-4-oxoheptan-2-yl)cyclohexene-1-carboxylate
Names & synonyms
1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, (1S,4S)-(-)-1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, [S-(R*,R*)]-DTXSID909050351-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, (S-(R*,R*))-RefChem:203750DTXCID701334148(-)-Juvabione26462-72-6IIWNDLDEVPJIBT-UHFFFAOYSA-NUNII-NG8LD2D5B4SCHEMBL12427089Methyl 4-(1,5-dimethyl-3-oxohexyl)-1-cyclohexene-1-carboxylate #
Show more names
1-Cyclohexene-1-carboxylic acid, 4-((1R)-1,5-dimethyl-3-oxohexyl)-, methyl ester, (4R)-Methyl (R-(R*,R*))-4-(1,5-dimethyl-3-oxohexyl)-1-cycloheane-1-carboxylate1-Cycloheane-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, (R-(R*,R*))-1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, (1R,4R)-(+)-
Database identifiers
- CAS
17904-27-7- PubChem CID
- 86634
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
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Compound notes
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