(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid CAS 80832-44-6

Purity 97%+In StockPharmaceutical Standards
CAS No.80832-44-6
Molecular FormulaC39H54O6
Molecular Weight618.84 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid CAS 80832-44-6 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid.

CATO supplies (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid (CAS 80832-44-6), a certified reference material (molecular formula C39H54O6, MW 618.84 g/mol) for analytical method development and quality control.

Structurally, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid (C39H54O6) contains a carboxylic acid group, a hydroxyl group, an ether linkage, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 618.84 g/mol, it falls into the high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC39H54O6
Molecular Weight618.84 g/mol
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1980

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