1-(9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl)ethyl 4-bromobenzoate
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1-(9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl)ethyl 4-bromobenzoate
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CAS No:
19457-36-4
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Formula:
C31H38BrNO6
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Chemical Name:
1-(9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl)ethyl 4-bromobenzoate
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Synonyms:
BB-Bct-A;19457-36-4;Batrachotoxinin A, 20-(p-bromobenzoate);DTXSID80941205;1-(9,12-Dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl)ethyl 4-bromobenzoate
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CAS No:
1-(9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl)ethyl 4-bromobenzoate Basic Attributes
600.5 g/mol
599.18825 g/mol
Computed Properties
Molecular Weight:600.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:599.18825
Monoisotopic Mass:599.18825
Topological Polar Surface Area:88.5
Heavy Atom Count:39
Complexity:1120
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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