(5S,5aR,8aR,9R)-5-ethylsulfanyl-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
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![(5S,5aR,8aR,9R)-5-ethylsulfanyl-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/624fb9b5b2e049019607a3bf5d90545c.png "(5S,5aR,8aR,9R)-5-ethylsulfanyl-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one")
(5S,5aR,8aR,9R)-5-ethylsulfanyl-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
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CAS No:
118356-06-2
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Formula:
C23H24O7S
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Chemical Name:
(5S,5aR,8aR,9R)-5-ethylsulfanyl-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
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Synonyms:
118356-06-2;Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-(ethylthio)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9beta))-;CHEMBL431418;DTXSID50152104;(5S,5aR,8aR,9R)-5-ethylsulfanyl-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one;Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(ethylthio)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.beta.)]-
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CAS No:
(5S,5aR,8aR,9R)-5-ethylsulfanyl-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Basic Attributes
444.5 g/mol
444.12427427 g/mol
DTXSID50152104
Computed Properties
Molecular Weight:444.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:444.12427427
Monoisotopic Mass:444.12427427
Topological Polar Surface Area:109
Heavy Atom Count:31
Complexity:648
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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