(17|A)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one (4aR,4bS,6aS,7S,9aS,9bS)-7-(Benzoyloxy)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-4a,6a-dimethyl-cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one 71996-13-9 CAS 71996-13-9

Purity 97%+In StockPharmaceutical Standards
CAS No.71996-13-9
Molecular FormulaC25H30O4
Molecular Weight394.50 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(17|A)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one
(4aR,4bS,6aS,7S,9aS,9bS)-7-(Benzoyloxy)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-4a,6a-dimethyl-cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one
71996-13-9 CAS 71996-13-9 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 (17|A)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one (4aR,4bS,6aS,7S,9aS,9bS)-7-(Benzoyloxy)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-4a,6a-dimethyl-cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one 71996-13-9.

(17|A)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one (4aR,4bS,6aS,7S,9aS,9bS)-7-(Benzoyloxy)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-4a,6a-dimethyl-cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one 71996-13-9 (CAS 71996-13-9), molecular formula C25H30O4 and molecular weight 394.50 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (17|A)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one (4aR,4bS,6aS,7S,9aS,9bS)-7-(Benzoyloxy)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-4a,6a-dimethyl-cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one 71996-13-9 (C25H30O4) contains a flavonoid core, 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 394.50 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC25H30O4
Molecular Weight394.50 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
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.)1977

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