(5S,9S)-5-methyl-12-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),14,16,18,20-hexaen-6-ol
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![(5S,9S)-5-methyl-12-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),14,16,18,20-hexaen-6-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c5c00d63e27849f88258ccb5aad60f6e.png "(5S,9S)-5-methyl-12-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),14,16,18,20-hexaen-6-ol")
(5S,9S)-5-methyl-12-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),14,16,18,20-hexaen-6-ol
structure -
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CAS No:
131077-42-4
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Formula:
C21H22O2
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Chemical Name:
(5S,9S)-5-methyl-12-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),14,16,18,20-hexaen-6-ol
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Synonyms:
benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17 beta-ol;benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol;BOTBO;131077-42-4;BOTBO;Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol;Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17beta-ol;DTXSID80927064;3a-Methyl-1,2,3,3a,4,5,13,13b-octahydroindeno[5,4-d]naphtho[1,2-b]pyran-3-ol
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CAS No:
(5S,9S)-5-methyl-12-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),14,16,18,20-hexaen-6-ol Basic Attributes
306.4 g/mol
306.161979940 g/mol
Computed Properties
Molecular Weight:306.4
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:306.161979940
Monoisotopic Mass:306.161979940
Topological Polar Surface Area:29.5
Heavy Atom Count:23
Complexity:524
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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