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· · COA & SDS available for every product · Same-day shipping on in-stock items Mesembrenone , CAS No.468-54-2
Synonyms
Mesembrenone | (+)-Mesembrenone | Mesembrenone, (+)- | HT8JNS8E79 | (3aR,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,7,7a-tetrahydroindol-6-one | C09223 | (3aR,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-6-one | 6H-Indol-6-one,
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Mesembrenone | (+)-Mesembrenone | Mesembrenone, (+)- | HT8JNS8E79 | (3aR, 7aS)-3a-(3, 4-dimethoxyphenyl)-1-methyl-2, 3, 7, 7a-tetrahydroindol-6-one | C09223 | (3aR, 7aS)-3a-(3, 4-dimethoxyphenyl)-1-methyl-2, 3, 3a, 6, 7, 7a-hexahydro-1H-indol-6-one | 6H-Indol-6-one,
Product Properties Names and Identifiers Canonical Smiles CN1CCC2(C1CC(=O)C=C2)C3=CC(=C(C=C3)OC)OC IUPAC Name (3aR,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,7,7a-tetrahydroindol-6-one InChIKey HDNHBCSWFYFPAN-IRXDYDNUSA-N INCHI 1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1 Isomeric SMILES CN1CC[C@]2([C@@H]1CC(=O)C=C2)C3=CC(=C(C=C3)OC)OC PubChem CID 216272 Molecular Weight 287.35
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyrrolidines Subclass Phenylpyrrolidines Intermediate Tree Nodes Not available Direct Parent Phenylpyrrolidines Alternative Parents Dimethoxybenzenes Indoles and derivatives Phenoxy compounds Anisoles Cyclohexenones Aralkylamines Alkyl aryl ethers N-alkylpyrrolidines Pyrroles Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 3-phenylpyrrolidine - Dimethoxybenzene - O-dimethoxybenzene - Indole or derivatives - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Cyclohexenone - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrole - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. External Descriptors Isoquinoline alkaloids Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 287.350 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 287.152 Da Monoisotopic Mass 287.152 Da Topological Polar Surface Area 38.800 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 436.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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