 Home > Encyclopedia > [(2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

[(2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

[(2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate structure

CAS No:
126485-47-0
Formula:
C23H24O13
Chemical Name:
[(2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
Synonyms:
11-O-syringylbergenin;11-O-Syringylbergenin;126485-47-0;[(2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate;DTXSID60925568;(3,4,8,10-Tetrahydroxy-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c][2]benzopyran-2-yl)methyl 4-hydroxy-3,5-dimethoxybenzoate

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[(2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate Basic Attributes

Molecular Weight：

508.4 g/mol

Exact Mass：

508.12169082 g/mol

Characteristics

PSA：

191 Å²

XLogP3：

0.38690

Drug Information

MeSH Entry Terms：

11-O-syringylbergenin

Computed Properties

Molecular Weight:508.4
XLogP3:0.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:508.12169082
Monoisotopic Mass:508.12169082
Topological Polar Surface Area:191
Heavy Atom Count:36
Complexity:780
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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868153-56-4
3-methylbutyl 4-hydroxy-3,5-dimethoxybenzoate Formula

7252-39-3
2-ethylhexyl 4-hydroxy-3,5-dimethoxybenzoate Formula

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2-(2,4-dichlorophenyl)-2-oxoethyl 4-hydroxy-3,5-dimethoxybenzoate Formula

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Guide of [(2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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