Umbellifolide, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H20O4
Molecular Weight	264.3169
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@](C)(CCCC(C)=O)C(=O)C[C@]1([H])C(=C)C(=O)O2

InChI

InChIKey=MIRSLSRVCIOISZ-LALPHHSUSA-N

InChI=1S/C15H20O4/c1-9(16)5-4-6-15(3)8-12-11(7-13(15)17)10(2)14(18)19-12/h11-12H,2,4-8H2,1,3H3/t11-,12-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H20O4
Molecular Weight	264.3169
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:30:40 GMT 2023` Edited by `admin` on `Sat Dec 16 15:30:40 GMT 2023`
Record UNII	9GAP3C3DDW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Umbellifolide, (+)-

Common Name

English

2,5(3H,4H)-Benzofurandione, tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-, [3aR-(3aα,6α,7aα)]-

Systematic Name

English

2,5(3H,4H)-Benzofurandione, tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-, (3aR,6R,7aR)-

Systematic Name

English

Umbellifolide

Common Name

English

(+)-Umbellifolide

Common Name

English

(3AS,6S,7AS)-6-METHYL-3-METHYLIDENE-6-(4-OXIDANYLIDENEPENTYL)-3A,4,7,7A-TETRAHYDRO-1-BENZOFURAN-2,5-DIONE

Systematic Name

English

(3aR,6R,7aR)-Tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-2,5(3H,4H)-benzofurandione

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID801125340

Created by admin on Sat Dec 16 15:30:40 GMT 2023 , Edited by admin on Sat Dec 16 15:30:40 GMT 2023

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PUBCHEM

13889982

Created by admin on Sat Dec 16 15:30:40 GMT 2023 , Edited by admin on Sat Dec 16 15:30:40 GMT 2023

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CAS

89026-40-4

Created by admin on Sat Dec 16 15:30:40 GMT 2023 , Edited by admin on Sat Dec 16 15:30:40 GMT 2023

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FDA UNII

9GAP3C3DDW

Created by admin on Sat Dec 16 15:30:40 GMT 2023 , Edited by admin on Sat Dec 16 15:30:40 GMT 2023

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