3-TERT-BUTYL-4-HYDROXYANISOLE GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H24O8
Molecular Weight	356.3677
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-TERT-BUTYL-4-HYDROXYANISOLE GLUCURONIDE

Structure Search

SMILES

COC1=CC(=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C(C)(C)C

InChI

InChIKey=IOOLYFLBZFWTHU-JHZZJYKESA-N

InChI=1S/C17H24O8/c1-17(2,3)9-7-8(23-4)5-6-10(9)24-16-13(20)11(18)12(19)14(25-16)15(21)22/h5-7,11-14,16,18-20H,1-4H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H24O8
Molecular Weight	356.3677
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:53:49 GMT 2025` Edited by `admin` on `Wed Apr 02 06:53:49 GMT 2025`
Record UNII	ERW3KV8N9N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-TERT-BUTYL-4-HYDROXYANISOLE GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-TERT-BUTYL-4-METHOXYPHENYL

Preferred Name

English

3-TERT-BUTYL-4-HYDROXYANISOLE GLUCURONIDE-

Common Name

English

(2S,3S,4S,5R,6S)-6-(2-TERT-BUTYL-4-METHOXY-PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(1,1-DIMETHYLETHYL)-4-METHOXYPHENYL

Systematic Name

English

Code System Code Type Description

CAS

94613-58-8

Created by admin on Wed Apr 02 06:53:49 GMT 2025 , Edited by admin on Wed Apr 02 06:53:49 GMT 2025

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FDA UNII

ERW3KV8N9N

Created by admin on Wed Apr 02 06:53:49 GMT 2025 , Edited by admin on Wed Apr 02 06:53:49 GMT 2025

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PUBCHEM

162623964

Created by admin on Wed Apr 02 06:53:49 GMT 2025 , Edited by admin on Wed Apr 02 06:53:49 GMT 2025

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