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Home > Encyclopedia > methyl 2-[(1S,6S,7S,11S,13R)-7-hydroxy-6,10-dimethyl-4,8,15-trioxo-3,14-dioxatetracyclo[11.4.0.01,5.06,11]heptadec-9-en-17-yl]propanoate

methyl 2-[(1S,6S,7S,11S,13R)-7-hydroxy-6,10-dimethyl-4,8,15-trioxo-3,14-dioxatetracyclo[11.4.0.01,5.06,11]heptadec-9-en-17-yl]propanoate

methyl 2-[(1S,6S,7S,11S,13R)-7-hydroxy-6,10-dimethyl-4,8,15-trioxo-3,14-dioxatetracyclo[11.4.0.01,5.06,11]heptadec-9-en-17-yl]propanoate structure

methyl 2-[(1S,6S,7S,11S,13R)-7-hydroxy-6,10-dimethyl-4,8,15-trioxo-3,14-dioxatetracyclo[11.4.0.01,5.06,11]heptadec-9-en-17-yl]propanoate 

structure
  • CAS No:

    176181-83-2

  • Formula:

    C21H26O8

  • Chemical Name:

    methyl 2-[(1S,6S,7S,11S,13R)-7-hydroxy-6,10-dimethyl-4,8,15-trioxo-3,14-dioxatetracyclo[11.4.0.01,5.06,11]heptadec-9-en-17-yl]propanoate

  • Synonyms:

    ailantinol A;Ailantinol A;176181-83-2;DTXSID10938769;methyl 2-(hydroxy-dimethyl-trioxo-[?]yl)propanoate;3H,4H-Furo(3',4':3,4)naphtho(2,3-b)pyran-4-acetic acid, 1,5,6,7a,8,8a,11,12,12a,12b-decahydro-12-hydroxy-alpha,9,12a-trimethyl-1,6,11-trioxo-, methyl ester, (alphaR,3aS,4S,7aR,8aS,12S,12aS,12bR)-;3H,4H-Furo[3',4':3,4]naphtho[2,3-b]pyran-4-acetic acid, 1,5,6,7a,8,8a,11,12,12a,12b-decahydro-12-hydroxy-.alpha.,9,12a-trimethyl-1,6,11-trioxo-, methyl ester, (.alpha.R,3aS,4S,7aR,8aS,12S,12aS,12bR)-;Methyl 2-(12-hydroxy-9,12a-dimethyl-1,6,11-trioxo-1,5,6,7a,8,8a,11,12,12a,12b-decahydro-3H,4H-furo[3',4':3,4]naphtho[2,3-b]pyran-4-yl)propanoate

methyl 2-[(1S,6S,7S,11S,13R)-7-hydroxy-6,10-dimethyl-4,8,15-trioxo-3,14-dioxatetracyclo[11.4.0.01,5.06,11]heptadec-9-en-17-yl]propanoate Basic Attributes

406.4 g/mol

406.16276778 g/mol

Characteristics

116 Ų

Drug Information

ailantinol A

Computed Properties

Molecular Weight:406.4
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:406.16276778
Monoisotopic Mass:406.16276778
Topological Polar Surface Area:116
Heavy Atom Count:29
Complexity:831
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[(1S,6S,7S,11S,13R)-7-hydroxy-6,10-dimethyl-4,8,15-trioxo-3,14-dioxatetracyclo[11.4.0.01,5.06,11]heptadec-9-en-17-yl]propanoate

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