CP-105696

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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

Spectral Data

CP-105696 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

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
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Identificators

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
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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]-

In Other Databases

ChemSpider 8042948
ChEMBL CHEMBL51770
PubChem 9867257