Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-2-one, (3aR,4R,5R,6aS)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22O4
Molecular Weight	302.3649
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-2-one, (3aR,4R,5R,6aS)-

Structure Search

SMILES

O[C@@H](CCC1=CC=CC=C1)\C=C\[C@H]2[C@H](O)C[C@@H]3OC(=O)C[C@H]23

InChI

InChIKey=PFIFPUGALHSEKD-RKCGEVCRSA-N

InChI=1S/C18H22O4/c19-13(7-6-12-4-2-1-3-5-12)8-9-14-15-10-18(21)22-17(15)11-16(14)20/h1-5,8-9,13-17,19-20H,6-7,10-11H2/b9-8+/t13-,14+,15+,16+,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H22O4
Molecular Weight	302.3649
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 `Wed Apr 02 18:19:39 GMT 2025` Edited by `admin` on `Wed Apr 02 18:19:39 GMT 2025`
Record UNII	F2THX64HBQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-2-one, (3aR,4R,5R,6aS)-

Common Name

English

PGX 9

Preferred Name

English

(3aR,4R,5R,6aS)-4-((3S,E)-3-Hydroxy-5-phenyl-1-penten-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-ol

Systematic Name

English

(3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-2-one

Systematic Name

English

2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-

Systematic Name

English

Code System Code Type Description

CAS

41639-74-1

Created by admin on Wed Apr 02 18:19:39 GMT 2025 , Edited by admin on Wed Apr 02 18:19:39 GMT 2025

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PUBCHEM

13046417

Created by admin on Wed Apr 02 18:19:39 GMT 2025 , Edited by admin on Wed Apr 02 18:19:39 GMT 2025

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FDA UNII

F2THX64HBQ

Created by admin on Wed Apr 02 18:19:39 GMT 2025 , Edited by admin on Wed Apr 02 18:19:39 GMT 2025

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EPA CompTox

DTXSID40738113

Created by admin on Wed Apr 02 18:19:39 GMT 2025 , Edited by admin on Wed Apr 02 18:19:39 GMT 2025

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