methyl (1R,4aR,4bR,10aR)-7-(2-hydroperoxypropan-2-yl)-4a-methyl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthrene-1-carboxylate
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methyl (1R,4aR,4bR,10aR)-7-(2-hydroperoxypropan-2-yl)-4a-methyl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthrene-1-carboxylate
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CAS No:
113903-96-1
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Formula:
C20H30O4
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Chemical Name:
methyl (1R,4aR,4bR,10aR)-7-(2-hydroperoxypropan-2-yl)-4a-methyl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthrene-1-carboxylate
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Synonyms:
15-hydroperoxy-abietic acid;15-hydroperoxyabietic acid;15-Hydroperoxyabietic acid;UNII-08Y6DE8I1U;08Y6DE8I1U;113903-96-1;15-Hpa;DTXSID70921238;methyl (1R,4aR,4bR,10aR)-7-(2-hydroperoxypropan-2-yl)-4a-methyl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthrene-1-carboxylate;Q27236431;1-Phenanthracenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-(1-hydroperoxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,4abeta,4betaalpha,10aalpha))-;Methyl 7-(2-hydroperoxypropan-2-yl)-4a-methyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
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CAS No:
methyl (1R,4aR,4bR,10aR)-7-(2-hydroperoxypropan-2-yl)-4a-methyl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthrene-1-carboxylate Basic Attributes
334.4 g/mol
334.21440943 g/mol
08Y6DE8I1U
Computed Properties
Molecular Weight:334.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:334.21440943
Monoisotopic Mass:334.21440943
Topological Polar Surface Area:55.8
Heavy Atom Count:24
Complexity:574
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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