Labda-8(17),12-diene-15,16-dial

Base Information

• Chemical Name: Labda-8(17),12-diene-15,16-dial
• CAS No.: 104263-85-6
• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.457
• DSSTox Substance ID: DTXSID201304207
• Nikkaji Number: J364.381F
• Wikidata: Q105268008
• Metabolomics Workbench ID: 122309
• ChEMBL ID: CHEMBL112830

Synonyms:labda-8(17),12-diene-15,16-dial;CHEMBL112830;SCHEMBL16260939;DTXSID201304207;(E)-Labda-8(20),12-diene-15,16-dial;104263-85-6

Chemical Property of Labda-8(17),12-diene-15,16-dial

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 302.224580195
• Heavy Atom Count: 22
• Complexity: 486

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1(CCCC2(C1CCC(=C)C2CC=C(CC=O)C=O)C)C
• Isomeric SMILES: C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C/C=C(\CC=O)/C=O)(C)C

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