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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H30O5
Molecular Weight 482.5669
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of [(3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-Phenylbenzoate

SMILES

[H][C@]12C[C@@H](OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[C@H](\C=C\[C@@H](O)CCC5=CC=CC=C5)[C@@]1([H])CC(=O)O2

InChI

InChIKey=ONMMRZIJKPIGTG-UAFSWDGMSA-N
InChI=1S/C31H30O5/c32-25(16-11-21-7-3-1-4-8-21)17-18-26-27-19-30(33)35-29(27)20-28(26)36-31(34)24-14-12-23(13-15-24)22-9-5-2-6-10-22/h1-10,12-15,17-18,25-29,32H,11,16,19-20H2/b18-17+/t25-,26+,27+,28+,29-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
[(3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-Phenylbenzoate
Common Name English
[1,1′-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2-oxo-2H-cyclopenta[b]furan-5-yl ester
Systematic Name English
[1,1′-Biphenyl]-4-carboxylic acid, hexahydro-4-(3-hydroxy-5-phenyl-1-pentenyl)-2-oxo-2H-cyclopenta[b]furan-5-yl ester, [3aR-[3aα,4α(1E,3S*),5β,6aα]]-
Common Name English
Code System Code Type Description
FDA UNII
6Z4M7H9MT7
Created by admin on Sat Dec 16 20:13:41 GMT 2023 , Edited by admin on Sat Dec 16 20:13:41 GMT 2023
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CAS
41639-73-0
Created by admin on Sat Dec 16 20:13:41 GMT 2023 , Edited by admin on Sat Dec 16 20:13:41 GMT 2023
PRIMARY
PUBCHEM
10322987
Created by admin on Sat Dec 16 20:13:41 GMT 2023 , Edited by admin on Sat Dec 16 20:13:41 GMT 2023
PRIMARY