3-Hexaprenyl-4-hydroxybenzoic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H54O3
Molecular Weight	546.8229
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	5
Charge	0

SHOW SMILES / InChI

Structure of 3-Hexaprenyl-4-hydroxybenzoic acid

Structure Search

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC=C1O)C(O)=O

InChI

InChIKey=LKMQQQABIGIHGL-LAAQXVIISA-N

InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+

HIDE SMILES / InChI

Molecular Formula	C37H54O3
Molecular Weight	546.8229
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	5
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:20:37 GMT 2023` Edited by `admin` on `Sat Dec 16 15:20:37 GMT 2023`
Record UNII	R9CFF48J56
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Hexaprenyl-4-hydroxybenzoic acid

Common Name

English

3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl]-4-hydroxybenzoic acid

Systematic Name

English

Benzoic acid, 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl]-4-hydroxy-

Systematic Name

English

3-(3,7,11,15,19,23-HEXAMETHYLTETRACOSA-2,6,10,14,18,22-HEXAENYL)-4-OXIDANYL-BENZOIC ACID

Systematic Name

English

Benzoic acid, 3-(3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxy-, (all-E)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11954011

Created by admin on Sat Dec 16 15:20:37 GMT 2023 , Edited by admin on Sat Dec 16 15:20:37 GMT 2023

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CAS

65848-03-5

Created by admin on Sat Dec 16 15:20:37 GMT 2023 , Edited by admin on Sat Dec 16 15:20:37 GMT 2023

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EPA CompTox

DTXSID701108775

Created by admin on Sat Dec 16 15:20:37 GMT 2023 , Edited by admin on Sat Dec 16 15:20:37 GMT 2023

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FDA UNII

R9CFF48J56

Created by admin on Sat Dec 16 15:20:37 GMT 2023 , Edited by admin on Sat Dec 16 15:20:37 GMT 2023

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