Systematic / IUPAC Name: 1-[(3S,4R)-3-(4-Biphenylylmethyl)-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]cyclopentanecarboxylic acid
ID: Reference2995
Other Names:
CP 105696;
1-[(3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman-7-yl]-cyclopentanecarboxylic acid ;
1-[(3S,4R)-4-Hydroxy-3-[(4-phenylphenyl)methyl]chroman-7-yl]cyclopentane-1-carboxylic acid;
Cyclopentanecarboxylic acid, 1-[(3S,4R)-3-([1,1'-biphenyl]-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl]-
Formula: C28H28O4
CP-105696 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 64 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 9/7/2015 10:54:16 AM |
InChI | InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1 |
InChI Key | KMNLXCBYBKHKSK-BKMJKUGQSA-N |
Canonical SMILES | C1CCC(C1)(C2=CC3=C(C=C2)C(C(CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O)C(=O)O |
CAS | 158081993 |
Splash | |
Other Names |
CP 105696; 1-[(3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman-7-yl]-cyclopentanecarboxylic acid ; 1-[(3S,4R)-4-Hydroxy-3-[(4-phenylphenyl)methyl]chroman-7-yl]cyclopentane-1-carboxylic acid; Cyclopentanecarboxylic acid, 1-[(3S,4R)-3-([1,1'-biphenyl]-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl]- |
ChemSpider | 8042948 |
ChEMBL | CHEMBL51770 |
PubChem | 9867257 |