4a-epi-Nanaomycin B

Base Information

• Chemical Name: 4a-epi-Nanaomycin B
• CAS No.: 72691-97-5
• Molecular Formula: C16H16O7
• Molecular Weight: 320.294
• DSSTox Substance ID: DTXSID30222995
• Wikidata: Q83101359
• Metabolomics Workbench ID: 144084
• Mol file: 72691-97-5.mol

Synonyms:4a-epi-Nanaomycin B;BRN 1440473;72691-97-5;1H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,4a,5,10,10a-hexahydro-9,10a-dihydroxy-1-methyl-5,10-dioxo-, (1S-(1alpha,3beta,4abeta,10abeta))-;5-18-09-00351 (Beilstein Handbook Reference);DTXSID30222995;LS-93843

Chemical Property of 4a-epi-Nanaomycin B

Chemical Property:

• Vapor Pressure: 1.88E-17mmHg at 25°C
• Boiling Point: 643.7°Cat760mmHg
• Flash Point: 242.9°C
• Density: 1.492g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 320.08960285
• Heavy Atom Count: 23
• Complexity: 545

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2(C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O)O
• Isomeric SMILES: C[C@H]1[C@@]2([C@H](C[C@@H](O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O)O