methyl (1S,16R,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14-pentaene-19-carboxylate
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methyl (1S,16R,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14-pentaene-19-carboxylate
structure -
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CAS No:
69284-02-2
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Formula:
C21H24N2O4
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Chemical Name:
methyl (1S,16R,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14-pentaene-19-carboxylate
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Synonyms:
69284-02-2;Oxayohimban-16-carboxylic acid, 20,21-didehydro-17-hydroxy-19-methyl-,methyl ester, (19beta)-;DTXSID40989007;Methyl 17-hydroxy-19-methyl-20,21-didehydro-18-oxayohimban-16-carboxylate
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CAS No:
methyl (1S,16R,20R)-18-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14-pentaene-19-carboxylate Basic Attributes
368.4 g/mol
368.17360725 g/mol
Computed Properties
Molecular Weight:368.4
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:368.17360725
Monoisotopic Mass:368.17360725
Topological Polar Surface Area:74.8
Heavy Atom Count:27
Complexity:638
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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