3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
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![3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/91bfc7e6464b46918f8232ad1e1c796a.png "3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid")
3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
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CAS No:
2931-65-9
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Formula:
C19H30O4
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Chemical Name:
3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
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Synonyms:
MLS002639466;NSC33230;2931-65-9;NSC-33230
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CAS No:
3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid Basic Attributes
322.4 g/mol
322.21440943 g/mol
33230
Computed Properties
Molecular Weight:322.4
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:322.21440943
Monoisotopic Mass:322.21440943
Topological Polar Surface Area:74.6
Heavy Atom Count:23
Complexity:530
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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