(3S,3aS,5aS,6R,9aS,9bS)-6-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid
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![(3S,3aS,5aS,6R,9aS,9bS)-6-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/32ce5e126bdf414d9da4606fd90b8576.png "(3S,3aS,5aS,6R,9aS,9bS)-6-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid")
(3S,3aS,5aS,6R,9aS,9bS)-6-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid
structure -
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CAS No:
76763-14-9
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Formula:
C19H28O5
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Chemical Name:
(3S,3aS,5aS,6R,9aS,9bS)-6-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid
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Synonyms:
(3S,3aS,5aS,6R,9aS,9bS)-6-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid;Beta.-Carboxy-5-oxo-A-nor-3,5-secoandrostan-3-oic acid
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CAS No:
(3S,3aS,5aS,6R,9aS,9bS)-6-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid Basic Attributes
336.4 g/mol
336.19367399 g/mol
616-381-7
Computed Properties
Molecular Weight:336.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:336.19367399
Monoisotopic Mass:336.19367399
Topological Polar Surface Area:91.7
Heavy Atom Count:24
Complexity:570
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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