9-(hydroxymethyl)-8-methoxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-4-one
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![9-(hydroxymethyl)-8-methoxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3a752c5c009045c4a1a1517e5bd3ff54.png "9-(hydroxymethyl)-8-methoxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-4-one")
9-(hydroxymethyl)-8-methoxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-4-one
structure -
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CAS No:
84808-29-7
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Formula:
C17H26O10
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Chemical Name:
9-(hydroxymethyl)-8-methoxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-4-one
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Synonyms:
paeonon;peonon;Paeonon;84808-29-7;Peonon;DTXSID801005099;1-(beta-D-Glucopyranosyloxy)-2-methyl-2,6-(epoxymethano)-6-(hydroxymethyl)-8-methoxybicyclo[3.1.1]heptane-4-one;7-Oxatricyclo(4.3.0.03,9)nonan-4-one, 1-(beta-D-glucopyranosyloxy)-9-(hydroxymethyl)-8-methoxy-6-methyl-;9-(Hydroxymethyl)-8-methoxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.0~3,9~]nonan-1-yl hexopyranoside
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CAS No:
9-(hydroxymethyl)-8-methoxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-4-one Basic Attributes
390.4 g/mol
390.15259702 g/mol
Computed Properties
Molecular Weight:390.4
XLogP3:-3.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:390.15259702
Monoisotopic Mass:390.15259702
Topological Polar Surface Area:155
Heavy Atom Count:27
Complexity:629
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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