AL-16049

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H37F3O6
Molecular Weight	502.5636
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)CCC2=CC=CC(=C2)C(F)(F)F

InChI

InChIKey=FACHBSUUXPJAEC-ICJQVQNVSA-N

InChI=1S/C26H37F3O6/c1-17(2)35-24(33)11-6-4-3-5-10-21-22(31)15-23(32)25(21)34-16-20(30)13-12-18-8-7-9-19(14-18)26(27,28)29/h3,5,7-9,14,17,20-23,25,30-32H,4,6,10-13,15-16H2,1-2H3/b5-3-/t20-,21-,22-,23+,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H37F3O6
Molecular Weight	502.5636
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:57:39 GMT 2023` Edited by `admin` on `Sat Dec 16 07:57:39 GMT 2023`
Record UNII	QVO9JHX59T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AL-16049

Common Name

English

5-HEPTENOIC ACID, 7-((1S,2R,3R,5S)-3,5-DIHYDROXY-2-((2S)-2-HYDROXY-4-(3-(TRIFLUOROMETHYL)PHENYL)BUTOXY)CYCLOPENTYL)-, 1-METHYLETHYL ESTER, (5Z)-

Systematic Name

English

Code System Code Type Description

CAS

228729-65-5

Created by admin on Sat Dec 16 07:57:39 GMT 2023 , Edited by admin on Sat Dec 16 07:57:39 GMT 2023

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FDA UNII

QVO9JHX59T

Created by admin on Sat Dec 16 07:57:39 GMT 2023 , Edited by admin on Sat Dec 16 07:57:39 GMT 2023

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PUBCHEM

44564015

Created by admin on Sat Dec 16 07:57:39 GMT 2023 , Edited by admin on Sat Dec 16 07:57:39 GMT 2023

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Related Record Type Details


					QVO9JHX59T

AL-16049

ACTIVE MOIETY