2-[(3S,3aR,5R,7aS)-3a-acetyl-3-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]prop-2-enoic acid
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![2-[(3S,3aR,5R,7aS)-3a-acetyl-3-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/789f77ecc4de48c2adf56c8c6ed58228.png "2-[(3S,3aR,5R,7aS)-3a-acetyl-3-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]prop-2-enoic acid")
2-[(3S,3aR,5R,7aS)-3a-acetyl-3-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]prop-2-enoic acid
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CAS No:
117869-89-3
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Formula:
C15H22O4
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Chemical Name:
2-[(3S,3aR,5R,7aS)-3a-acetyl-3-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]prop-2-enoic acid
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Synonyms:
Cyperanic acid;117869-89-3;2-[(3S,3aR,5R,7aS)-3a-acetyl-3-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]prop-2-enoic acid;3beta-Hydroxyisoiphion-11(13)-en-12-oic acid;SCHEMBL19419905;ACon1_001588;DTXSID30922569;ZINC5167277;MCULE-3209954130;NCGC00180350-01;NCGC00180350-02;BRD-K30690667-001-01-9;2-(3a-Acetyl-3-hydroxy-7a-methyloctahydro-1H-inden-5-yl)prop-2-enoic acid;1H-Indene-5-acetic acid, 3a-acetyloctahydro-3-hydroxy-7a-methyl-alpha-methylene-, (3S,3aR,5R,7aS)-;NCGC00180350-02_C15H22O4_2-[(3S,3aR,5R,7aS)-3a-Acetyl-3-hydroxy-7a-methyloctahydro-1H-inden-5-yl]acrylic acid
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CAS No:
2-[(3S,3aR,5R,7aS)-3a-acetyl-3-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]prop-2-enoic acid Basic Attributes
266.33 g/mol
266.15180918 g/mol
Computed Properties
Molecular Weight:266.33
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:266.15180918
Monoisotopic Mass:266.15180918
Topological Polar Surface Area:74.6
Heavy Atom Count:19
Complexity:441
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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