Spirasine I

Base Information

• Chemical Name: Spirasine I
• CAS No.: 106777-13-3
• Molecular Formula: C22H29 N O3
• Molecular Weight: 355.4706
• DSSTox Substance ID: DTXSID30474614
• Metabolomics Workbench ID: 70850
• Wikidata: Q27108328

Synonyms:Spirasine I;106777-13-3;C08710;(1R,5R,11R,14S,17R,20S,21S)-21-hydroxy-5,15-dimethyl-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docos-15-en-19-one;CHEBI:9237;DTXSID30474614;Q27108328

Chemical Property of Spirasine I

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 526.571°C at 760 mmHg
• Flash Point: 272.26°C
• Density: 1.351g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 355.21474379
• Heavy Atom Count: 26
• Complexity: 792

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC23CC(=O)C4C5(CCCC46C2(CC1CC3C6N7C5OCC7)O)C
• Isomeric SMILES: CC1=C[C@@]23CC(=O)[C@@H]4[C@]5(CCC[C@@]46[C@@]2(C[C@@H]1CC3[C@H]6N7C5OCC7)O)C

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