(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,6,12-Trihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one CAS 155850-27-4

Purity 97%+In StockPharmaceutical Standards
CAS No.155850-27-4
Molecular FormulaC25H31NO7
Molecular Weight457.52 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,6,12-Trihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one CAS 155850-27-4 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 (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,6,12-Trihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one.

(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,6,12-Trihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one (CAS 155850-27-4) is a high-purity analytical reference standard with the molecular formula C25H31NO7 and a molecular weight of 457.52 g/mol.

Structurally, (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,6,12-Trihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one (C25H31NO7) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 457.52 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC25H31NO7
Molecular Weight457.52 g/mol
AppearancePale yellow to yellow crystalline powder
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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2001
Nitrogen Atoms1

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