methyl (1S,4aS,7R,7aS)-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4'-[(1S)-1-[(E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxyethyl]spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

Base Information

• Chemical Name: methyl (1S,4aS,7R,7aS)-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4'-[(1S)-1-[(E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxyethyl]spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
• CAS No.: 80396-57-2
• Molecular Formula: C₃₆H₄₂O₁₉
• Molecular Weight: 778.718
• NSC Number: 353057
• DSSTox Substance ID: DTXSID80419570
• Mol file: 80396-57-2.mol

Synonyms:NSC353057;methyl (1S,4aS,7R,7aS)-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4'-[(1S)-1-[(E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxyethyl]spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate;80396-57-2;DTXSID80419570;NSC-353057

Chemical Property of methyl (1S,4aS,7R,7aS)-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4'-[(1S)-1-[(E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxyethyl]spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

Chemical Property:

• Boiling Point: 1040.3±65.0 °C(Predicted)
• PKA: 12.77±0.70(Predicted)
• Flash Point: 322.5oC
• PSA: 286.89000
• Density: 1.62±0.1 g/cm3(Predicted)
• LogP: -2.93590
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 13
• Exact Mass: 778.23202911
• Heavy Atom Count: 55
• Complexity: 1540

Purity/Quality:

98% ^*data from raw suppliers

ProtoplumericinA ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)OC(=O)C=CC5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O
• Isomeric SMILES: C[C@@H](C1=C[C@@]2(C=C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)OC(=O)/C=C/C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O