17-Hydroxy-4α-methylsarpagan-4-ium
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17-Hydroxy-4α-methylsarpagan-4-ium
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CAS No:
6792-07-0
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Formula:
C20H25N2O
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Chemical Name:
17-Hydroxy-4α-methylsarpagan-4-ium
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Synonyms:
macusine B;macusine B, hydrochloride, (4alpha)-isomer;MCULE-9830865878;[(1S,12S,13R,14R,15E,17R)-15-ethylidene-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.0^{2,10.0^{4,9.0^{12,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
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CAS No:
Computed Properties
Molecular Weight:309.4
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:309.196688425
Monoisotopic Mass:309.196688425
Topological Polar Surface Area:36
Heavy Atom Count:23
Formal Charge:1
Complexity:532
Undefined Atom Stereocenter Count:5
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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17-Hydroxy-4α-methylsarpagan-4-ium
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