3-[(1R,2R,4R,10R,11S,14S,15S,19S)-15-hydroxy-10,14-dimethyl-7-oxo-15-pentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-5,16-dienyl]propanoic acid
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![3-[(1R,2R,4R,10R,11S,14S,15S,19S)-15-hydroxy-10,14-dimethyl-7-oxo-15-pentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-5,16-dienyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9815469131184e7e9fdf4fda64a10e04.png "3-[(1R,2R,4R,10R,11S,14S,15S,19S)-15-hydroxy-10,14-dimethyl-7-oxo-15-pentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-5,16-dienyl]propanoic acid")
3-[(1R,2R,4R,10R,11S,14S,15S,19S)-15-hydroxy-10,14-dimethyl-7-oxo-15-pentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-5,16-dienyl]propanoic acid
structure -
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CAS No:
81844-75-9
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Formula:
C24H32O4
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Chemical Name:
3-[(1R,2R,4R,10R,11S,14S,15S,19S)-15-hydroxy-10,14-dimethyl-7-oxo-15-pentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-5,16-dienyl]propanoic acid
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Synonyms:
17 alpha-hydroxy-6 beta,7 beta-methylene-3-oxo-D-homo-17a alpha-pregna-4,16-dien-21-carboxylic acid;Ro 12-2503;81844-75-9;Ro 12-2503;DTXSID601002263;17alpha-Hydroxy-6beta,7beta-methylene-3-oxo-D-homo-17aalpha-pregna-4,16-dien-21-carboxylic acid;3'H-Cyclopropa(6,7)-D-homopregna-4,6,16-triene-21-carboxylic acid, 6,7-dihydro-17a-hydroxy-3-oxo-, (6alpha,7alpha,17aalpha)-;3-(8-Hydroxy-5a,7a-dimethyl-3-oxo-1a,3,4,5,5a,5b,6,7,7a,8,11,11a,11b,11c-tetradecahydro-1H-cyclopropa[g]chrysen-8-yl)propanoic acid
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CAS No:
3-[(1R,2R,4R,10R,11S,14S,15S,19S)-15-hydroxy-10,14-dimethyl-7-oxo-15-pentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-5,16-dienyl]propanoic acid Basic Attributes
384.5 g/mol
384.23005950 g/mol
Drug Information
17 alpha-hydroxy-6 beta,7 beta-methylene-3-oxo-D-homo-17a alpha-pregna-4,16-dien-21-carboxylic acid
Computed Properties
Molecular Weight:384.5
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:384.23005950
Monoisotopic Mass:384.23005950
Topological Polar Surface Area:74.6
Heavy Atom Count:28
Complexity:796
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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