METHYL 5,6-EPOXYRETINOATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H30O3
Molecular Weight	330.4611
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)CCCC2(C)C

InChI

InChIKey=FIWDPTZCMLYHJY-KUTPFEKRSA-N

InChI=1S/C21H30O3/c1-16(9-7-10-17(2)15-18(22)23-6)11-14-21-19(3,4)12-8-13-20(21,5)24-21/h7,9-11,14-15H,8,12-13H2,1-6H3/b10-7+,14-11+,16-9+,17-15+/t20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O3
Molecular Weight	330.4611
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:04:03 GMT 2023` Edited by `admin` on `Sat Dec 16 12:04:03 GMT 2023`
Record UNII	4O5740JQ4L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL 5,6-EPOXYRETINOATE

Common Name

English

RETINOIC ACID, 5,6-EPOXY-5,6-DIHYDRO-, METHYL ESTER

Systematic Name

English

METHYL 5,6-MONOEPOXYRETINOATE, (±)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID101222832

Created by admin on Sat Dec 16 12:04:03 GMT 2023 , Edited by admin on Sat Dec 16 12:04:03 GMT 2023

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PUBCHEM

121491112

Created by admin on Sat Dec 16 12:04:03 GMT 2023 , Edited by admin on Sat Dec 16 12:04:03 GMT 2023

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CAS

7432-30-6

Created by admin on Sat Dec 16 12:04:03 GMT 2023 , Edited by admin on Sat Dec 16 12:04:03 GMT 2023

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FDA UNII

4O5740JQ4L

Created by admin on Sat Dec 16 12:04:03 GMT 2023 , Edited by admin on Sat Dec 16 12:04:03 GMT 2023

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