Clerodendrin B

Base Information

• Chemical Name: Clerodendrin B
• CAS No.: 39877-08-2
• Molecular Formula: C31H44O12
• Molecular Weight: 608.6739
• DSSTox Substance ID: DTXSID30960426
• Wikidata: Q82941617

Synonyms:CLERODENDRIN B;Caryoptinol, 2-hydroxy-, 3-(2-(acetyloxy)-2-methylbutanoate), (2alpha,3beta(R))-;39877-08-2;DTXSID30960426;C31H44O12;8-(Acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-(acetyloxy)-2-methylbutanoate

Chemical Property of Clerodendrin B

Chemical Property:

• Boiling Point: 672.5°Cat760mmHg
• Flash Point: 208.2°C
• Density: 1.3g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 608.28327683
• Heavy Atom Count: 43
• Complexity: 1190

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C(=O)OC1C(CC2C(C(CC(C2(C13CO3)COC(=O)C)OC(=O)C)C)(C)C4CC5C=COC5O4)O)OC(=O)C
• Isomeric SMILES: CC[C@](C)(C(=O)O[C@H]1[C@@H](CC2[C@@]([C@H](C[C@@H]([C@]2([C@@]13CO3)COC(=O)C)OC(=O)C)C)(C)[C@@H]4C[C@H]5C=CO[C@H]5O4)O)OC(=O)C

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