Echiumine

Base Information

• Chemical Name: Echiumine
• CAS No.: 633-16-9
• Molecular Formula: C20H31NO6
• Molecular Weight: 381.46
• UNII: TTL6B216YV
• Nikkaji Number: J14.849K
• Wikidata: Q27290339
• Mol file: 633-16-9.mol

Synonyms:Echiumine;633-16-9;UNII-TTL6B216YV;TTL6B216YV;2-Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-(1alpha(Z),7(2S*,3R*),7abeta))-;[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate;AKOS040734614;Q27290339;2-BUTENOIC ACID, 2-METHYL-, 7-((2,3-DIHYDROXY-2-(1-METHYLETHYL)-1-OXOBUTOXY)METHYL)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-1-YL ESTER, (1R-(1.ALPHA.(Z),7(2S*,3R*),7A.BETA.))-

Chemical Property of Echiumine

Chemical Property:

• PSA: 96.30000
• LogP: 1.12770
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 381.21513771
• Heavy Atom Count: 27
• Complexity: 640

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)O)(C(C)C)O