ACETYLMERULIDIAL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H22O4
Molecular Weight	290.3542
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(C)(C)CC1=C(C=O)[C@]3(C[C@@]3(C)[C@H]2OC(C)=O)C=O

InChI

InChIKey=MJXHKPSYLUUZDJ-QCPWZWHMSA-N

InChI=1S/C17H22O4/c1-10(20)21-14-12-6-15(2,3)5-11(12)13(7-18)17(9-19)8-16(14,17)4/h7,9,12,14H,5-6,8H2,1-4H3/t12-,14+,16+,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H22O4
Molecular Weight	290.3542
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:23:08 GMT 2023` Edited by `admin` on `Sat Dec 16 11:23:08 GMT 2023`
Record UNII	SWK870K34E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETYLMERULIDIAL

Common Name

English

CYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 6-(ACETYLOXY)-3,4,5,5A,6,6A-HEXAHYDRO-4,4,6A-TRIMETHYL-, (1AR-(1A.ALPHA.,5A.BETA.,6.BETA.,6A.ALPHA.))-

Systematic Name

English

(1AR,5AR,6S,6AR)-6-(ACETYLOXY)-3,4,5,5A,6,6A-HEXAHYDRO-4,4,6A-TRIMETHYLCYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE

Systematic Name

English

CYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 6-(ACETYLOXY)-3,4,5,5A,6,6A-HEXAHYDRO-4,4,6A-TRIMETHYL-, (1AR,5AR,6S,6AR)-

Systematic Name

English

Code System Code Type Description

CAS

108893-54-5

Created by admin on Sat Dec 16 11:23:08 GMT 2023 , Edited by admin on Sat Dec 16 11:23:08 GMT 2023

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PUBCHEM

163791

Created by admin on Sat Dec 16 11:23:08 GMT 2023 , Edited by admin on Sat Dec 16 11:23:08 GMT 2023

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FDA UNII

SWK870K34E

Created by admin on Sat Dec 16 11:23:08 GMT 2023 , Edited by admin on Sat Dec 16 11:23:08 GMT 2023

PRIMARY

EPA CompTox

DTXSID20910899

Created by admin on Sat Dec 16 11:23:08 GMT 2023 , Edited by admin on Sat Dec 16 11:23:08 GMT 2023

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Related Record Type Details


					SWK870K34E

ACETYLMERULIDIAL

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