(3aR,4R,5R,6aS)-4-[4-[tert-Butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Details

Stereochemistry	MIXED
Molecular Formula	C21H38F2O4Si
Molecular Weight	420.6063
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3aR,4R,5R,6aS)-4-[4-[tert-Butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Structure Search

SMILES

CCCCC(F)(F)C(CCC1[C@H](O)C[C@@H]2OC(=O)C[C@H]12)O[Si](C)(C)C(C)(C)C

InChI

InChIKey=QAPHYXGEZSYVSI-MFJUZZNBSA-N

InChI=1S/C21H38F2O4Si/c1-7-8-11-21(22,23)18(27-28(5,6)20(2,3)4)10-9-14-15-12-19(25)26-17(15)13-16(14)24/h14-18,24H,7-13H2,1-6H3/t14?,15-,16-,17+,18?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H38F2O4Si
Molecular Weight	420.6063
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	3 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:32:36 GMT 2025` Edited by `admin` on `Wed Apr 02 14:32:36 GMT 2025`
Record UNII	87X8272P2M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(3aR,4R,5R,6aS)-4-[4-[tert-Butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Preferred Name

English

Code System Code Type Description

PUBCHEM

166451413

Created by admin on Wed Apr 02 14:32:36 GMT 2025 , Edited by admin on Wed Apr 02 14:32:36 GMT 2025

PRIMARY

CAS

118583-17-8

Created by admin on Wed Apr 02 14:32:36 GMT 2025 , Edited by admin on Wed Apr 02 14:32:36 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

87X8272P2M

Created by admin on Wed Apr 02 14:32:36 GMT 2025 , Edited by admin on Wed Apr 02 14:32:36 GMT 2025

PRIMARY