2-Deacetoxytaxinine B

Base Information

• Chemical Name: 2-Deacetoxytaxinine B
• CAS No.: 191547-12-3
• Molecular Formula: C35H42O9
• Molecular Weight: 606.70300
• DSSTox Substance ID: DTXSID101346597
• Nikkaji Number: J881.124E
• Wikidata: Q105188930
• Mol file: 191547-12-3.mol

Synonyms:2-Deacetoxytaxinine B;191547-12-3;Taxinine B, 2-deacetoxy-;[(1R,3R,5S,7S,8S,9R,10R)-7,9,10-triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate;2-Deacetoxy taxinine B;7,9,10-Triacetoxy-5-cinnamoyloxytaxa-4(20),11-dien-13-one;DTXSID101346597;AKOS032948126

Chemical Property of 2-Deacetoxytaxinine B

Chemical Property:

• Vapor Pressure: 8.46E-18mmHg at 25°C
• Melting Point: 240 °C (decomp)
• Refractive Index: 1.559
• Boiling Point: 669.7 °C at 760 mmHg
• Flash Point: 275.2 °C
• PSA: 122.27000
• Density: 1.21 g/cm³
• LogP: 5.32450
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 606.28288291
• Heavy Atom Count: 44
• Complexity: 1270

Purity/Quality:

99% ^*data from raw suppliers

2-DeacetoxytaxinineB 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(C(C3(C(CC(C2(C)C)CC1=O)C(=C)C(CC3OC(=O)C)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC1=C2[C@H]([C@@H]([C@]3([C@H](C[C@@H](C2(C)C)CC1=O)C(=C)[C@H](C[C@@H]3OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C)OC(=O)C