ATLANTONE, BETA-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22O
Molecular Weight	218.3346
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CC(=O)CC(=C)[C@@H]1CCC(C)=CC1

InChI

InChIKey=LRDZCBICVMXPBB-AWEZNQCLSA-N

InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9,14H,4,6-8,10H2,1-3H3/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H22O
Molecular Weight	218.3346
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:13:12 GMT 2023` Edited by `admin` on `Fri Dec 15 19:13:12 GMT 2023`
Record UNII	4PD4ATF42Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATLANTONE, BETA-

Common Name

English

1,5-Heptadien-4-one, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (R)-

Systematic Name

English

1,5-Heptadien-4-one, 6-methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-

Systematic Name

English

6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-1,5-heptadien-4-one

Systematic Name

English

(+)-β-Atlantone

Common Name

English

β-Atlantone

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20959243

Created by admin on Fri Dec 15 19:13:12 GMT 2023 , Edited by admin on Fri Dec 15 19:13:12 GMT 2023

PRIMARY

PUBCHEM

181580

Created by admin on Fri Dec 15 19:13:12 GMT 2023 , Edited by admin on Fri Dec 15 19:13:12 GMT 2023

PRIMARY

FDA UNII

4PD4ATF42Y

Created by admin on Fri Dec 15 19:13:12 GMT 2023 , Edited by admin on Fri Dec 15 19:13:12 GMT 2023

PRIMARY

CAS

38331-79-2

Created by admin on Fri Dec 15 19:13:12 GMT 2023 , Edited by admin on Fri Dec 15 19:13:12 GMT 2023

PRIMARY

Related Record Type Details


					4PD4ATF42Y

ATLANTONE, BETA-

ACTIVE MOIETY

Amount: