Triptobenzene H

Base Information

• Chemical Name: Triptobenzene H
• CAS No.: 146900-55-2
• Molecular Formula: C21H28 O4
• Molecular Weight: 344.44
• DSSTox Substance ID: DTXSID901317110
• Nikkaji Number: J817.976J
• Wikidata: Q105188383
• Metabolomics Workbench ID: 133223
• ChEMBL ID: CHEMBL3799506
• Mol file: 146900-55-2.mol

Synonyms:Triptobenzene H;146900-55-2;(4aS,10aS)-5-hydroxy-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid;CHEMBL3799506;CHEBI:132351;DTXSID901317110;AKOS032962717;(4aS,10aS)-5-hydroxy-8-methoxy-1,4a-dimethyl-7-(propan-2-yl)-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid

Chemical Property of Triptobenzene H

Chemical Property:

• PSA: 66.76000
• LogP: 4.53920
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 344.19875937
• Heavy Atom Count: 25
• Complexity: 566

Purity/Quality:

95% Min ^*data from raw suppliers

TriptobenzeneH 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(CCC2(C1CCC3=C(C(=CC(=C32)O)C(C)C)OC)C)C(=O)O
• Isomeric SMILES: CC1=C(CC[C@]2([C@H]1CCC3=C(C(=CC(=C32)O)C(C)C)OC)C)C(=O)O

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