(4S,4aR,5S,8R,8aS)-4-decanoyloxy-5-methyl-7-oxo-8-(3-oxoprop-1-en-2-yl)-4,4a,5,6,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid
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(4S,4aR,5S,8R,8aS)-4-decanoyloxy-5-methyl-7-oxo-8-(3-oxoprop-1-en-2-yl)-4,4a,5,6,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid
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CAS No:
154381-70-1
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Formula:
C25H36O6
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Chemical Name:
(4S,4aR,5S,8R,8aS)-4-decanoyloxy-5-methyl-7-oxo-8-(3-oxoprop-1-en-2-yl)-4,4a,5,6,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid
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Synonyms:
1-O-decanoylpanal;PS-A lucif;154381-70-1;1-O-Decanoylpanal;PS-A Lucif;DTXSID20934979;4-(Decanoyloxy)-5-methyl-7-oxo-8-(3-oxoprop-1-en-2-yl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
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CAS No:
(4S,4aR,5S,8R,8aS)-4-decanoyloxy-5-methyl-7-oxo-8-(3-oxoprop-1-en-2-yl)-4,4a,5,6,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid Basic Attributes
432.5 g/mol
432.25118886 g/mol
Computed Properties
Molecular Weight:432.5
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:432.25118886
Monoisotopic Mass:432.25118886
Topological Polar Surface Area:97.7
Heavy Atom Count:31
Complexity:722
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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