1-Dehydroxybaccatin VI

Base Information

• Chemical Name: 1-Dehydroxybaccatin VI
• CAS No.: 125037-14-1
• Molecular Formula: C37H46 O13
• Molecular Weight: 698.7533
• DSSTox Substance ID: DTXSID80925000
• Nikkaji Number: J2.038.444A
• Wikidata: Q82899232
• Mol file: 125037-14-1.mol

Synonyms:1-dehydroxy-baccatin VI;1-dehydroxybaccatin VI

Chemical Property of 1-Dehydroxybaccatin VI

Chemical Property:

• Vapor Pressure: 3.26E-19mmHg at 25°C
• Boiling Point: 695.9°Cat760mmHg
• Flash Point: 281.9°C
• Density: 1.29g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 13
• Exact Mass: 698.29384152
• Heavy Atom Count: 50
• Complexity: 1440

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C