1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid;2-amino-2-methylpropane-1,3-diol
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1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid;2-amino-2-methylpropane-1,3-diol
structure -
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CAS No:
5401-89-8
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Formula:
C24H41NO4
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Chemical Name:
1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid;2-amino-2-methylpropane-1,3-diol
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Synonyms:
5401-89-8;1, 2-amino-2-methyl, salt with 1 f. wt. neoabietic acid;NSC5008;1-Phenanthrenecarboxylic acid,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-, compd. with 2-amino-2-methyl-1,3-propanediol (1:1);DTXSID00968838;NSC-5008;NSC106471;NSC-106471;Abieta-8(14),13(15)-dien-18-oic acid--2-amino-2-methylpropane-1,3-diol (1/1)
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CAS No:
1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid;2-amino-2-methylpropane-1,3-diol Basic Attributes
407.6 g/mol
407.30355879 g/mol
106471|5008
Computed Properties
Molecular Weight:407.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:407.30355879
Monoisotopic Mass:407.30355879
Topological Polar Surface Area:104
Heavy Atom Count:29
Complexity:604
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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