Neogrifolin

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H32O2
Molecular Weight	328.4883
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C=C(O)C=C1C

InChI

InChIKey=JWDIUXFSIWOGDP-VZRGJMDUSA-N

InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+

HIDE SMILES / InChI

Molecular Formula	C22H32O2
Molecular Weight	328.4883
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:42:28 GMT 2025` Edited by `admin` on `Wed Apr 02 06:42:28 GMT 2025`
Record UNII	2SLA8PNR99
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Neogrifolin

Common Name

English

5-Methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,3-benzenediol

Preferred Name

English

1,3-Benzenediol, 5-methyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-

Systematic Name

English

Resorcinol, 5-methyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-

Systematic Name

English

1,3-Benzenediol, 5-methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-

Systematic Name

English

1,3-Benzenediol, 5-methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-

Systematic Name

English

Code System Code Type Description

CAS

23665-96-5

Created by admin on Wed Apr 02 06:42:28 GMT 2025 , Edited by admin on Wed Apr 02 06:42:28 GMT 2025

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PUBCHEM

9874426

Created by admin on Wed Apr 02 06:42:28 GMT 2025 , Edited by admin on Wed Apr 02 06:42:28 GMT 2025

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FDA UNII

2SLA8PNR99

Created by admin on Wed Apr 02 06:42:28 GMT 2025 , Edited by admin on Wed Apr 02 06:42:28 GMT 2025

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EPA CompTox

DTXSID701318136

Created by admin on Wed Apr 02 06:42:28 GMT 2025 , Edited by admin on Wed Apr 02 06:42:28 GMT 2025

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