Anopterine

Base Information

• Chemical Name: Anopterine
• CAS No.: 38826-62-9
• Molecular Formula: C31H43NO7
• Molecular Weight: 541.681
• DSSTox Substance ID: DTXSID80415097
• NSC Number: 179172
• Wikidata: Q105209702
• Mol file: 38826-62-9.mol

Synonyms:ANOPTERINE;38826-62-9;[(1S,3S,4S,5S,7S,9S,14S,15R,16S,17R)-3,4,7-trihydroxy-9,11-dimethyl-16-[(E)-2-methylbut-2-enoyl]oxy-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-15-yl] (E)-2-methylbut-2-enoate;NSC179172;NSC-179172;C08658;CHEBI:2746;DTXSID80415097

Chemical Property of Anopterine

Chemical Property:

• Melting Point: 222-3°C
• Boiling Point: 652.8oC at 760 mmHg
• Flash Point: 348.6oC
• PSA: 116.53000
• Density: 1.3g/cm3
• LogP: 2.45950
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 541.30395271
• Heavy Atom Count: 39
• Complexity: 1210

Purity/Quality:

ANOPTERINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C2C3C4C56CC(CC(C5(C(CC3(C6C1OC(=O)C(=CC)C)CC2=C)O)O)(CN4C)C)O
• Isomeric SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@H]([C@@H]2[C@@]34C[C@@H]([C@]5([C@@]26C[C@H](C[C@]5(CN(C6C3[C@H]1C(=C)C4)C)C)O)O)O)OC(=O)/C(=C/C)/C
• Description: A complex alkaloid obtained from Anopterus macleaynus F. Muell and subsequently from A. glandulosus Labill. The base is laevorotatory with a specific rotation of [α]D - 12° (c 1.47, CHC13). The structure has been established by chemical and spectroscopic methods.

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