(4S,4aR,5S,8R,8aS)-4-dodecanoyloxy-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-dodecanoyloxy-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:
154381-71-2
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Formula:
C27H40O6
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Chemical Name:
(4S,4aR,5S,8R,8aS)-4-dodecanoyloxy-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-dodecanoylpanal;PS-B lucif;154381-71-2;PS-B Lucif;1-O-Dodecanoylpanal;DTXSID30934980;4-(Dodecanoyloxy)-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-dodecanoyloxy-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
460.6 g/mol
460.28248899 g/mol
Computed Properties
Molecular Weight:460.6
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:15
Exact Mass:460.28248899
Monoisotopic Mass:460.28248899
Topological Polar Surface Area:97.7
Heavy Atom Count:33
Complexity:752
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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