3-O-(2'E,4'Z-Decadienoyl)-20-deoxyingenol

Base Information

• Chemical Name: 3-O-(2'E,4'Z-Decadienoyl)-20-deoxyingenol
• CAS No.: 672941-64-9
• Molecular Formula: C30H42O5
• Molecular Weight: 482.6
• ChEMBL ID: CHEMBL3815033
• Metabolomics Workbench ID: 133264
• Nikkaji Number: J1.923.434G

Synonyms:3-O-(2'E,4'Z-Decadienoyl)-20-deoxyingenol;672941-64-9;[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (2E,4Z)-deca-2,4-dienoate;3-O-(2'E ,4'Z-decadienoyl)-20-deoxyingenol;CHEMBL3815033

Chemical Property of 3-O-(2'E,4'Z-Decadienoyl)-20-deoxyingenol

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 482.30322444
• Heavy Atom Count: 35
• Complexity: 1000

Purity/Quality:

Analysis control,HPLC≥95% ^*data from raw suppliers

3-O-(2'E,4'Z-decadienoyl)-20-deoxyingenol ≥98% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCC=CC=CC(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)C)O)O)C
• Isomeric SMILES: CCCCC/C=C\C=C\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)C)O)O)C

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