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Home > Encyclopedia > methyl (1R,2R,3S,5R,7R,8R,11R,12R)-7,11-dihydroxy-2-methyl-9-oxo-12-prop-1-en-2-yl-4,10-dioxatetracyclo[6.2.2.02,7.03,5]dodecane-3-carboxylate

methyl (1R,2R,3S,5R,7R,8R,11R,12R)-7,11-dihydroxy-2-methyl-9-oxo-12-prop-1-en-2-yl-4,10-dioxatetracyclo[6.2.2.02,7.03,5]dodecane-3-carboxylate

methyl (1R,2R,3S,5R,7R,8R,11R,12R)-7,11-dihydroxy-2-methyl-9-oxo-12-prop-1-en-2-yl-4,10-dioxatetracyclo[6.2.2.02,7.03,5]dodecane-3-carboxylate structure

methyl (1R,2R,3S,5R,7R,8R,11R,12R)-7,11-dihydroxy-2-methyl-9-oxo-12-prop-1-en-2-yl-4,10-dioxatetracyclo[6.2.2.02,7.03,5]dodecane-3-carboxylate 

structure
  • CAS No:

    21412-42-0

  • Formula:

    C16H20O7

  • Chemical Name:

    methyl (1R,2R,3S,5R,7R,8R,11R,12R)-7,11-dihydroxy-2-methyl-9-oxo-12-prop-1-en-2-yl-4,10-dioxatetracyclo[6.2.2.02,7.03,5]dodecane-3-carboxylate

  • Synonyms:

    21412-42-0;Methyl-alpha-picrotoxinate;BRN 0046142;alpha-Picrotoxinin, methyl ester;DTXSID30943976;4-19-00-03942 (Beilstein Handbook Reference);Methyl 3,5a-dihydroxy-1b-methyl-7-oxo-4-(prop-1-en-2-yl)octahydro-1aH-2,5-(epoxymethano)indeno[1,2-b]oxirene-1a-carboxylate

methyl (1R,2R,3S,5R,7R,8R,11R,12R)-7,11-dihydroxy-2-methyl-9-oxo-12-prop-1-en-2-yl-4,10-dioxatetracyclo[6.2.2.02,7.03,5]dodecane-3-carboxylate Basic Attributes

324.32 g/mol

324.12090297 g/mol

Characteristics

106 Ų

Computed Properties

Molecular Weight:324.32
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:324.12090297
Monoisotopic Mass:324.12090297
Topological Polar Surface Area:106
Heavy Atom Count:23
Complexity:644
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (1R,2R,3S,5R,7R,8R,11R,12R)-7,11-dihydroxy-2-methyl-9-oxo-12-prop-1-en-2-yl-4,10-dioxatetracyclo[6.2.2.02,7.03,5]dodecane-3-carboxylate

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