(3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
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![(3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/73de0eeac2cd49288f6b23045b3acc55.png "(3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid")
(3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
structure -
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CAS No:
145842-18-8
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Formula:
C23H36O7
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Chemical Name:
(3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
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Synonyms:
SQ 31,906;SQ 31906;SQ 31906, (3beta)-isomer;SQ 31906, sodium salt, (3beta)-isomer;SQ-31906;SQ 31,906;(3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid;145842-18-8;1-Naphthaleneheptanoic acid, 1,2,3,7,8,8a-hexahydro-beta,delta,3-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, (1S-(1alpha(betas*,deltas*),2alpha,3alpha,8beta(R*),8aalpha))-
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CAS No:
(3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid Basic Attributes
424.5 g/mol
424.24610348 g/mol
Computed Properties
Molecular Weight:424.5
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:424.24610348
Monoisotopic Mass:424.24610348
Topological Polar Surface Area:124
Heavy Atom Count:30
Complexity:656
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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