MEXRENOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H34O6
Molecular Weight	418.5232
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(CCC(O)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])[C@@H](CC4=CC(=O)CC[C@]34C)C(=O)OC

InChI

InChIKey=JBXXREPMUABISH-RGKMBJPFSA-N

InChI=1S/C24H34O6/c1-22-8-4-15(25)12-14(22)13-16(21(28)30-3)20-17(22)5-9-23(2)18(20)6-10-24(23,29)11-7-19(26)27/h12,16-18,20,29H,4-11,13H2,1-3H3,(H,26,27)/t16-,17+,18+,20-,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H34O6
Molecular Weight	418.5232
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:51:54 UTC 2023` Edited by `admin` on `Fri Dec 15 18:51:54 UTC 2023`
Record UNII	2MN58RDC9D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MEXRENOIC ACID

Common Name

English

PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 17-HYDROXY-3-OXO-, 7-METHYL ESTER

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50194004