5-Benzofuranol, 2,3-dihydro-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-, 5-acetate, (2R,3R)-rel-

Details

Stereochemistry	MIXED
Molecular Formula	C31H52O3
Molecular Weight	472.7428
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Benzofuranol, 2,3-dihydro-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-, 5-acetate, (2R,3R)-rel-

Structure Search

SMILES

CC(C)CCCC(C)CCCC(C)CCC[C@@]1(C)OC2=C(C)C(C)=C(OC(C)=O)C(C)=C2[C@H]1C

InChI

InChIKey=BZSRWKZBUYJTAA-RGUOYGGBSA-N

InChI=1S/C31H52O3/c1-20(2)14-11-15-21(3)16-12-17-22(4)18-13-19-31(10)26(8)28-25(7)29(33-27(9)32)23(5)24(6)30(28)34-31/h20-22,26H,11-19H2,1-10H3/t21?,22?,26-,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H52O3
Molecular Weight	472.7428
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	2 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:24:20 GMT 2025` Edited by `admin` on `Wed Apr 02 17:24:20 GMT 2025`
Record UNII	TD54YA3CHJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

all-rac-cis-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-2,3-dihydrobenzofuran-5-yl acetate,

Preferred Name

English

5-Benzofuranol, 2,3-dihydro-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-, 5-acetate, (2R,3R)-rel-

Common Name

English

all-rac-?-TOCOPHERYL ACETATE IMPURITY B [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

89964884

Created by admin on Wed Apr 02 17:24:20 GMT 2025 , Edited by admin on Wed Apr 02 17:24:20 GMT 2025

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CAS

1560716-42-8

Created by admin on Wed Apr 02 17:24:20 GMT 2025 , Edited by admin on Wed Apr 02 17:24:20 GMT 2025

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FDA UNII

TD54YA3CHJ

Created by admin on Wed Apr 02 17:24:20 GMT 2025 , Edited by admin on Wed Apr 02 17:24:20 GMT 2025

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