TANACETOL A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H26O4
Molecular Weight	294.3859
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@@H]1CC(=C)C(=O)C[C@@H](CC\C(C)=C\1)C(C)(C)O

InChI

InChIKey=ZPZUGHMDLKWJOU-LMSYVIICSA-N

InChI=1S/C17H26O4/c1-11-6-7-14(17(4,5)20)10-16(19)12(2)9-15(8-11)21-13(3)18/h8,14-15,20H,2,6-7,9-10H2,1,3-5H3/b11-8+/t14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H26O4
Molecular Weight	294.3859
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 `Sat Dec 16 08:04:09 GMT 2023` Edited by `admin` on `Sat Dec 16 08:04:09 GMT 2023`
Record UNII	8KM3347TK8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TANACETOL A

Common Name

English

TANACETOL-A

Common Name

English

(-)-TANACETOL-A

Common Name

English

5-CYCLODECEN-1-ONE, 4-(ACETYLOXY)-9-(1-HYDROXY-1-METHYLETHYL)-6-METHYL-2-METHYLENE-, (4R,5E,9R)-

Systematic Name

English

5-CYCLODECEN-1-ONE, 4-(ACETYLOXY)-9-(1-HYDROXY-1-METHYLETHYL)-6-METHYL-2-METHYLENE-, (4R-(4R*,5E,9R*))-

Systematic Name

English

Code System Code Type Description

FDA UNII

8KM3347TK8

Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023

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PUBCHEM

76959295

Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023

PRIMARY

CAS

86778-06-5

Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023

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EPA CompTox

DTXSID801120114

Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023

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Related Record Type Details


					8KM3347TK8

TANACETOL A

ACTIVE MOIETY