PROPAN-2-YL 4-((3S,5AR,6R,7R,8AS)-6-((1E,3S)-4-(2,5-DIFLUOROPHENOXY)-3-HYDROXY-1-BUTEN-1-YL)-7-HYDROXYOCTAHYDRO-2H-CYCLOPENTA(B)OXEPIN-3-YL)BUTANOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H36F2O6
Molecular Weight	482.5572
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PROPAN-2-YL 4-((3S,5AR,6R,7R,8AS)-6-((1E,3S)-4-(2,5-DIFLUOROPHENOXY)-3-HYDROXY-1-BUTEN-1-YL)-7-HYDROXYOCTAHYDRO-2H-CYCLOPENTA(B)OXEPIN-3-YL)BUTANOATE

Structure Search

SMILES

CC(C)OC(=O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2\C=C\[C@H](O)COC3=CC(F)=CC=C3F)OC1

InChI

InChIKey=BKVUSNOUTQMSBE-KXMBGKKBSA-N

InChI=1S/C26H36F2O6/c1-16(2)34-26(31)5-3-4-17-6-9-21-20(23(30)13-24(21)32-14-17)10-8-19(29)15-33-25-12-18(27)7-11-22(25)28/h7-8,10-12,16-17,19-21,23-24,29-30H,3-6,9,13-15H2,1-2H3/b10-8+/t17-,19-,20+,21+,23+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H36F2O6
Molecular Weight	482.5572
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:21:23 GMT 2025` Edited by `admin` on `Mon Mar 31 23:21:23 GMT 2025`
Record UNII	9X4952UB72
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2H-CYCLOPENT(B)OXEPIN-3-BUTANOIC ACID, 6-((1E,3S)-4-(2,5-DIFLUOROPHENOXY)-3-HYDROXY-1-BUTEN-1-YL)OCTAHYDRO-7-HYDROXY-, 1-METHYLETHYL ESTER, (3S,5AR,6R,7R,8AS)-

Preferred Name

English

PROPAN-2-YL 4-((3S,5AR,6R,7R,8AS)-6-((1E,3S)-4-(2,5-DIFLUOROPHENOXY)-3-HYDROXY-1-BUTEN-1-YL)-7-HYDROXYOCTAHYDRO-2H-CYCLOPENTA(B)OXEPIN-3-YL)BUTANOATE

Common Name

English

ISOPROPYL 5-((3S,5AR,6R,7R,8AS)-6-((E,3R)-4-(2,5-DIFLUOROPHENOXY)-3-HYDROXY-BUT-1-ENYL)-7-HYDROXY-3,4,5,5A,6,7,8,8A-OCTAHYDRO-2H-CYCLOPENTA(B)OXEPIN-3-YL)PENTANOATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

68750566

Created by admin on Mon Mar 31 23:21:23 GMT 2025 , Edited by admin on Mon Mar 31 23:21:23 GMT 2025

PRIMARY

CAS

1262873-20-0

Created by admin on Mon Mar 31 23:21:23 GMT 2025 , Edited by admin on Mon Mar 31 23:21:23 GMT 2025

PRIMARY

FDA UNII

9X4952UB72

Created by admin on Mon Mar 31 23:21:23 GMT 2025 , Edited by admin on Mon Mar 31 23:21:23 GMT 2025

PRIMARY