[(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
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[(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
structure -
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CAS No:
109517-73-9
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Formula:
C22H30O5
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Chemical Name:
[(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
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Synonyms:
14-Hydroxyferutinin;109517-73-9;Feruginidin;DTXSID40911227;3-Hydroxy-6-(hydroxymethyl)-8a-methyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate
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CAS No:
[(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate Basic Attributes
374.5 g/mol
374.20932405 g/mol
Computed Properties
Molecular Weight:374.5
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:374.20932405
Monoisotopic Mass:374.20932405
Topological Polar Surface Area:87
Heavy Atom Count:27
Complexity:577
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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