17,20-dimethylisocarbacyclin
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17,20-dimethylisocarbacyclin
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CAS No:
122168-74-5
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Formula:
C22H36O4
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Chemical Name:
17,20-dimethylisocarbacyclin
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Synonyms:
17,20-dimethylisocarbacyclin;TEI 9063;TEI-9063;5-[(3aR,5S,6S,6aR)-5-hydroxy-6-[(E,3R)-3-hydroxynon-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid;2-Pentalenepentanoic acid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-nonenyl)-, (3aR-(3aalpha,5beta,6alpha(1E,3R*),6aalpha))-
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CAS No:
Computed Properties
Molecular Weight:364.5
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:364.26135963
Monoisotopic Mass:364.26135963
Topological Polar Surface Area:77.8
Heavy Atom Count:26
Complexity:496
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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