(2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol
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![(2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5771381dadd94042a5a84d237f9bfde0.png "(2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol")
(2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol
structure -
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CAS No:
1038-19-3
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Formula:
C20H30O2
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Chemical Name:
(2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol
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Synonyms:
1038-19-3;A-NOR-5-alpha-ANDROSTANE-2-beta,17-beta-DIOL, 2-alpha-ETHYNYL-;2-beta,17-beta-Dihydroxy-2-alpha-ethinyl-A-nor(5-alpha)androstane;DTXSID90908602;(2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol;7-Ethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol
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CAS No:
(2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol Basic Attributes
302.5 g/mol
302.224580195 g/mol
Computed Properties
Molecular Weight:302.5
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:302.224580195
Monoisotopic Mass:302.224580195
Topological Polar Surface Area:40.5
Heavy Atom Count:22
Complexity:533
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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