(1S,13Z,17S,19S)-9-hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one

Base Information

• Chemical Name: (1S,13Z,17S,19S)-9-hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one
• CAS No.: 34628-60-9
• Molecular Formula: C26H29 N O5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID901099893
• Wikidata: Q105328398
• Mol file: 34628-60-9.mol

Synonyms:2'-hydroxy-5'',6''-dimethoxylythran-12-one;nesodine

Chemical Property of (1S,13Z,17S,19S)-9-hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 435.20457303
• Heavy Atom Count: 32
• Complexity: 698

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)C=CC5=CC2=C(C=C5)O)OC
• Isomeric SMILES: COC1=C(C2=C(C=C1)[C@@H]3C[C@H](C[C@H]4N3CCCC4)OC(=O)/C=C\C5=CC2=C(C=C5)O)OC
• Description: This alkaloid occurs in the aerial parts of Heimia salicifolia and forms colourless needles from CH2Cl2 or isopropyl alcohol. It is a minor constituent of this plant and has been separated by thin layer chromatography. The structure is not yet known with any certainty.