ACETOXYVALERENIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H24O4
Molecular Weight	292.3701
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@H](OC(C)=O)[C@H]12

InChI

InChIKey=VBBXZFLAYWAXSK-RONQOHQESA-N

InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14+,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H24O4
Molecular Weight	292.3701
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:50:15 GMT 2025` Edited by `admin` on `Mon Mar 31 22:50:15 GMT 2025`
Record UNII	8A47JLA8P4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETOXYVALERENIC ACID

Common Name

English

ACETOXYVALERENIC ACID (CONSTITUENT OF VALERIAN) [DSC]

Preferred Name

English

ACETOXYVALERENIC ACID (STN)

Common Name

English

2-PROPENOIC ACID, 3-(1-(ACETYLOXY)-2,4,5,6,7,7A-HEXAHYDRO-3,7-DIMETHYL-1H-INDEN-4-YL)-2-METHYL-, (1R-(1.ALPHA.,4.ALPHA.(E),7.ALPHA.,7A.ALPHA.))-

Systematic Name

English

VALERENOLIC ACID, ACETYL-

Common Name

English

ACETYLVALERENOLIC ACID

Common Name

English

Code System Code Type Description

PUBCHEM

91864465

Created by admin on Mon Mar 31 22:50:15 GMT 2025 , Edited by admin on Mon Mar 31 22:50:15 GMT 2025

PRIMARY

CAS

84638-55-1

Created by admin on Mon Mar 31 22:50:15 GMT 2025 , Edited by admin on Mon Mar 31 22:50:15 GMT 2025

PRIMARY

FDA UNII

8A47JLA8P4

Created by admin on Mon Mar 31 22:50:15 GMT 2025 , Edited by admin on Mon Mar 31 22:50:15 GMT 2025

PRIMARY

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