6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID, (E)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26O6
Molecular Weight	374.4275
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID, (E)-

Structure Search

SMILES

O[C@@H]1C[C@@H]2CC3=C(OCC(O)=O)C=CC=C3C[C@@H]2[C@H]1CC\C=C\CC(O)=O

InChI

InChIKey=NVTIWSLEXNPHQF-BNNKELBSSA-N

InChI=1S/C21H26O6/c22-18-11-14-10-17-13(5-4-7-19(17)27-12-21(25)26)9-16(14)15(18)6-2-1-3-8-20(23)24/h1,3-5,7,14-16,18,22H,2,6,8-12H2,(H,23,24)(H,25,26)/b3-1+/t14-,15+,16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H26O6
Molecular Weight	374.4275
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:33:55 GMT 2025` Edited by `admin` on `Mon Mar 31 20:33:55 GMT 2025`
Record UNII	3PE8S99ZTG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TREPROSTINIL METABOLITE HU4

Preferred Name

English

6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID, (E)-

Common Name

English

(E)-6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID

Systematic Name

English

TREPROSTINIL METABOLITE M374

Common Name

English

Code System Code Type Description

FDA UNII

3PE8S99ZTG

Created by admin on Mon Mar 31 20:33:55 GMT 2025 , Edited by admin on Mon Mar 31 20:33:55 GMT 2025

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PUBCHEM

91618009

Created by admin on Mon Mar 31 20:33:55 GMT 2025 , Edited by admin on Mon Mar 31 20:33:55 GMT 2025

PRIMARY

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