5,8-EPOXYTRETINOIN, (13Z)-R,R-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H28O3
Molecular Weight	316.4345
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of 5,8-EPOXYTRETINOIN, (13Z)-R,R-(±)-

Structure Search

SMILES

CC(\C=C\C=C(/C)[C@@H]1O[C@]2(C)CCCC(C)(C)C2=C1)=C\C(O)=O

InChI

InChIKey=QDOSIDVGVRAXSE-UMLVQPASSA-N

InChI=1S/C20H28O3/c1-14(12-18(21)22)8-6-9-15(2)16-13-17-19(3,4)10-7-11-20(17,5)23-16/h6,8-9,12-13,16H,7,10-11H2,1-5H3,(H,21,22)/b8-6+,14-12-,15-9+/t16-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O3
Molecular Weight	316.4345
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:02:23 GMT 2023` Edited by `admin` on `Sat Dec 16 18:02:23 GMT 2023`
Record UNII	MT2G7G55LF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5,8-EPOXYTRETINOIN, (13Z)-R,R-(±)-

Common Name

English

5,8-EPOXYTRETINOIN, (13Z)-TRANS-(±)-

Common Name

English

2,4,6-OCTATRIENOIC ACID, 7-((2R,7AR)-2,4,5,6,7,7A-HEXAHYDRO-4,4,7A-TRIMETHYL-2-BENZOFURANYL)-3-METHYL-, (2Z,4E,6E)-REL-

Systematic Name

English

Code System Code Type Description

FDA UNII

MT2G7G55LF

Created by admin on Sat Dec 16 18:02:23 GMT 2023 , Edited by admin on Sat Dec 16 18:02:23 GMT 2023

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PUBCHEM

94005051

Created by admin on Sat Dec 16 18:02:23 GMT 2023 , Edited by admin on Sat Dec 16 18:02:23 GMT 2023

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