ECHIUMINE
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ECHIUMINE
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CAS No:
633-16-9
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Formula:
C20H31NO6
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Chemical Name:
ECHIUMINE
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Synonyms:
Echiumine;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))-;Q27290339;[(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
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CAS No:
Computed Properties
Molecular Weight:381.5
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:381.21513771
Monoisotopic Mass:381.21513771
Topological Polar Surface Area:96.3
Heavy Atom Count:27
Complexity:640
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes