UR-144 N-(5-hydroxypentyl) β-D-glucuronide

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Systematic / IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((5-(3-(2,2,3,3-tetramethylcyclopropane-1-carbonyl)-1H-indol-1-yl)pentyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

ID: Reference8489

Other Names: Methanone, [1-[5-[(5ξ)-β-D-xylo-hexopyranuronosyloxy]pentyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-

Formula: C27H37NO8

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

UR-144 N-(5-hydroxypentyl) β-D-glucuronide 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 Orbitrap Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 170
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 1/8/2019 8:54:16 AM
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Identificators

InChI InChI=1S/C27H37NO8/c1-26(2)23(27(26,3)4)18(29)16-14-28(17-11-7-6-10-15(16)17)12-8-5-9-13-35-25-21(32)19(30)20(31)22(36-25)24(33)34/h6-7,10-11,14,19-23,25,30-32H,5,8-9,12-13H2,1-4H3,(H,33,34)/t19-,20-,21+,22?,25+/m0/s1
InChI Key CMXUADKSHAPHSQ-MYQCPFBQSA-N
Canonical SMILES O=C(C1C(C)(C)C1(C)C)C2=CN(CCCCCO[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)C4=C2C=CC=C4
CAS 1630023016
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Other Names Methanone, [1-[5-[(5ξ)-β-D-xylo-hexopyranuronosyloxy]pentyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-

In Other Databases

Cayman 11776
ChemSpider 68025525