CATALPALACTONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H14O4
Molecular Weight	258.2693
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)CC=C(C2OC(=O)C3=C2C=CC=C3)C(=O)O1

InChI

InChIKey=GFYSRANGENPXDF-UHFFFAOYSA-N

InChI=1S/C15H14O4/c1-15(2)8-7-11(14(17)19-15)12-9-5-3-4-6-10(9)13(16)18-12/h3-7,12H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C15H14O4
Molecular Weight	258.2693
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:32:12 GMT 2023` Edited by `admin` on `Sat Dec 16 11:32:12 GMT 2023`
Record UNII	P61GH0V29Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CATALPALACTONE

Common Name

English

3-(5,6-DIHYDRO-6,6-DIMETHYL-2-OXO-2H-PYRAN-3-YL)-1(3H)-ISOBENZOFURANONE

Systematic Name

English

CATALPALACTONE, (±)-

Common Name

English

1(3H)-ISOBENZOFURANONE, 3-(5,6-DIHYDRO-6,6-DIMETHYL-2-OXO-2H-PYRAN-3-YL)-

Systematic Name

English

1-PHTHALANACETIC ACID, .ALPHA.-(3-HYDROXY-3-METHYLBUTYLIDENE)-3-OXO-, .DELTA.-LACTONE

Systematic Name

English

Code System Code Type Description

CAS

1585-68-8

Created by admin on Sat Dec 16 11:32:12 GMT 2023 , Edited by admin on Sat Dec 16 11:32:12 GMT 2023

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PUBCHEM

3014018

Created by admin on Sat Dec 16 11:32:12 GMT 2023 , Edited by admin on Sat Dec 16 11:32:12 GMT 2023

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EPA CompTox

DTXSID00935929

Created by admin on Sat Dec 16 11:32:12 GMT 2023 , Edited by admin on Sat Dec 16 11:32:12 GMT 2023

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FDA UNII

P61GH0V29Z

Created by admin on Sat Dec 16 11:32:12 GMT 2023 , Edited by admin on Sat Dec 16 11:32:12 GMT 2023

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