(2E,4E,6E)-7-[5-[(4E,6E)-8-[[2-[2,4-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-(3-hydroxy-6-methoxy-2-methyloxan-4-yl)oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid

Base Information

• Chemical Name: (2E,4E,6E)-7-[5-[(4E,6E)-8-[[2-[2,4-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-(3-hydroxy-6-methoxy-2-methyloxan-4-yl)oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid
• CAS No.: 118498-91-2
• Molecular Formula: C51H71 N O15
• Molecular Weight: 938.11
• Mol file: 118498-91-2.mol

Synonyms:phenelfamycin A

Chemical Property of (2E,4E,6E)-7-[5-[(4E,6E)-8-[[2-[2,4-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-(3-hydroxy-6-methoxy-2-methyloxan-4-yl)oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1033.2°Cat760mmHg
• Flash Point: 578.7°C
• PSA: 232.49000
• Density: 1.25g/cm³
• LogP: 5.27300
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 23
• Exact Mass: 937.48237056
• Heavy Atom Count: 67
• Complexity: 1800

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC=CC1C(C(C(C(O1)(C(COC2CC(OC(C2O)C)OC)C(=O)NCC=CC=C(C)C(C(C)C3CC(C(O3)C=CC=CC=CC(=O)O)O)OC)O)OC(=O)CC4=CC=CC=C4)O)(C)C
• Isomeric SMILES: C/C=C/C=C/C1C(C(C(C(O1)(C(COC2CC(OC(C2O)C)OC)C(=O)NC/C=C/C=C(\C)/C(C(C)C3CC(C(O3)/C=C/C=C/C=C/C(=O)O)O)OC)O)OC(=O)CC4=CC=CC=C4)O)(C)C