Juvabione, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H26O3
Molecular Weight	266.3758
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=CC[C@H](CC1)[C@@H](C)CC(=O)CC(C)C

InChI

InChIKey=IIWNDLDEVPJIBT-QWHCGFSZSA-N

InChI=1S/C16H26O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13H,5-6,8-10H2,1-4H3/t12-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H26O3
Molecular Weight	266.3758
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:38:47 GMT 2025` Edited by `admin` on `Wed Apr 02 16:38:47 GMT 2025`
Record UNII	FGJ3V32W9M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Juvabione, (-)-

Common Name

English

(-)-Juvabione

Preferred Name

English

Methyl (4S)-4-[(1S)-1,5-dimethyl-3-oxohexyl]-1-cyclohexene-1-carboxylate

Systematic Name

English

1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, (1S,4S)-(-)-

Systematic Name

English

1-Cyclohexene-1-carboxylic acid, 4-[(1S)-1,5-dimethyl-3-oxohexyl]-, methyl ester, (4S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11054621

Created by admin on Wed Apr 02 16:38:47 GMT 2025 , Edited by admin on Wed Apr 02 16:38:47 GMT 2025

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CAS

26462-72-6

Created by admin on Wed Apr 02 16:38:47 GMT 2025 , Edited by admin on Wed Apr 02 16:38:47 GMT 2025

PRIMARY

EPA CompTox

DTXSID90905035

Created by admin on Wed Apr 02 16:38:47 GMT 2025 , Edited by admin on Wed Apr 02 16:38:47 GMT 2025

PRIMARY

FDA UNII

FGJ3V32W9M

Created by admin on Wed Apr 02 16:38:47 GMT 2025 , Edited by admin on Wed Apr 02 16:38:47 GMT 2025

PRIMARY

Related Record Type Details


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Juvabione, (±)-

RACEMATE -> ENANTIOMER

Amount: