Mancinellin

Base Information

• Chemical Name: Mancinellin
• CAS No.: 57672-76-1
• Molecular Formula: C36H52O8
• Molecular Weight: 612.7933
• ChEMBL ID: CHEMBL502052
• DSSTox Substance ID: DTXSID60415111
• Nikkaji Number: J12.725F
• Wikidata: Q27107296

Synonyms:Mancinellin;57672-76-1;CHEBI:6679;[(1R,2S,4R,5S,6S,10S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] (2E,4E,6E)-hexadeca-2,4,6-trienoate;CHEMBL502052;C09127;DTXSID60415111;Q27107296

Chemical Property of Mancinellin

Chemical Property:

• Boiling Point: 737.2°Cat760mmHg
• Flash Point: 225°C
• Density: 1.23g/cm³
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 612.36621861
• Heavy Atom Count: 44
• Complexity: 1250

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC=CC=CC=CC(=O)OC12CC(C3(C4C=C(C(=O)C4(C(C5(C(C3C1C2(C)C)O5)CO)O)O)C)O)C
• Isomeric SMILES: CCCCCCCCC/C=C/C=C/C=C/C(=O)O[C@@]12C[C@H]([C@@]3([C@@H]4C=C(C(=O)[C@]4([C@@H]([C@@]5([C@H]([C@H]3[C@@H]1C2(C)C)O5)CO)O)O)C)O)C

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Get Best Price for 57672-76-1 2,4,6-Hexadecatrienoic acid,(1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,- 8aS)-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8- dodecahydro-3,3a,6b-trihydroxy-2a-(hydroxymethyl)- 1,1,5,7-tetramethyl-4-oxo-8aH-cyclopropa[ 5',6']benz[1',2':7,8]azuleno[5,6-b]oxiren- 8a-yl ester

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