(4R,10R,12R,13R,14S,17S,19S,21R)-3,6,10,13,14,19-hexamethyl-24,27-dioxa-23-azaheptacyclo[11.10.3.117,21.01,14.03,12.04,9.017,23]heptacos-6-ene-2,8,11,25-tetrone

Base Information

• Chemical Name: (4R,10R,12R,13R,14S,17S,19S,21R)-3,6,10,13,14,19-hexamethyl-24,27-dioxa-23-azaheptacyclo[11.10.3.117,21.01,14.03,12.04,9.017,23]heptacos-6-ene-2,8,11,25-tetrone
• CAS No.: 123853-69-0
• Molecular Formula: C30H39 N O6
• Molecular Weight: 509.6338
• DSSTox Substance ID: DTXSID90420056
• Wikidata: Q82231315
• Mol file: 123853-69-0.mol

Synonyms:Zoanthaminone;NSC637760;123853-69-0;DTXSID90420056

Chemical Property of (4R,10R,12R,13R,14S,17S,19S,21R)-3,6,10,13,14,19-hexamethyl-24,27-dioxa-23-azaheptacyclo[11.10.3.117,21.01,14.03,12.04,9.017,23]heptacos-6-ene-2,8,11,25-tetrone

Chemical Property:

• Vapor Pressure: 1.71E-18mmHg at 25°C
• Boiling Point: 682.7°Cat760mmHg
• Flash Point: 366.7°C
• Density: 1.29g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 509.27773796
• Heavy Atom Count: 37
• Complexity: 1210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2CN3C(C1)(O2)CCC4(C35C(=O)C6(C7CC(=CC(=O)C7C(C(=O)C6C4(CC(=O)O5)C)C)C)C)C
• Isomeric SMILES: C[C@H]1C[C@@H]2CN3[C@](C1)(O2)CC[C@@]4(C35C(=O)C6([C@@H]7CC(=CC(=O)C7[C@H](C(=O)[C@@H]6[C@]4(CC(=O)O5)C)C)C)C)C