SENKYUNOLIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H16O2
Molecular Weight	192.2542
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC[C@@H]1OC(=O)C2=C1CCC=C2

InChI

InChIKey=ZPIKVDODKLJKIN-NSHDSACASA-N

InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C12H16O2
Molecular Weight	192.2542
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 `Sat Dec 16 20:17:10 UTC 2023` Edited by `admin` on `Sat Dec 16 20:17:10 UTC 2023`
Record UNII	74QZK813SO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SENKYUNOLIDE A

Official Name

English

3-N-BUTYL-4,5-DIHYDROPHTHALIDE

Common Name

English

SEDANENOLIDE

Common Name

English

1(3H)-ISOBENZOFURANONE, 3-BUTYL-4,5-DIHYDRO-, (3S)-

Systematic Name

English

(S)-SEDANENOLIDE

Common Name

English

(-)-SEDANENOLIDE

Common Name

English

1(3H)-ISOBENZOFURANONE, 3-BUTYL-4,5-DIHYDRO-, (S)-

Systematic Name

English

(3S)-3-BUTYL-4,5-DIHYDRO-2-BENZOFURAN-1(3H)-ONE

Systematic Name

English

SENKYUNOLIDE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40212322

Created by admin on Sat Dec 16 20:17:11 UTC 2023 , Edited by admin on Sat Dec 16 20:17:11 UTC 2023

PRIMARY

CAS

63038-10-8

Created by admin on Sat Dec 16 20:17:11 UTC 2023 , Edited by admin on Sat Dec 16 20:17:11 UTC 2023

PRIMARY

RS_ITEM_NUM

1611988

Created by admin on Sat Dec 16 20:17:11 UTC 2023 , Edited by admin on Sat Dec 16 20:17:11 UTC 2023

PRIMARY

FDA UNII

74QZK813SO

Created by admin on Sat Dec 16 20:17:11 UTC 2023 , Edited by admin on Sat Dec 16 20:17:11 UTC 2023

PRIMARY

PUBCHEM

3085257

Created by admin on Sat Dec 16 20:17:11 UTC 2023 , Edited by admin on Sat Dec 16 20:17:11 UTC 2023

PRIMARY

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Comments:

Senkyunolide I, coniferyl ferulate, senkyunolide A, 3-butylphthalide, Z-butylidenephthalide and levistolide A were isolated from essential oil of Angelica sinensis.