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Home > Encyclopedia > [(4S,5R,6R,7R,8R,11R,13S,16S,17S,18S,19S)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate

[(4S,5R,6R,7R,8R,11R,13S,16S,17S,18S,19S)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate

[(4S,5R,6R,7R,8R,11R,13S,16S,17S,18S,19S)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate structure

[(4S,5R,6R,7R,8R,11R,13S,16S,17S,18S,19S)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate 

structure
  • CAS No:

    29428-64-6

  • Formula:

    C25H36O9

  • Chemical Name:

    [(4S,5R,6R,7R,8R,11R,13S,16S,17S,18S,19S)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate

  • Synonyms:

    29428-64-6;Glaucarubol-15-isovalerate;Glaucarubol 15-isovalerate;Picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-15-(3-methyl-1-oxobutoxy)-;Isovaleric acid, 4-ester with 1,2,3,3a-beta,4,6a-beta,7,7a-alpha,10,11,11a,11b-alpha-dodecahydro-1-alpha,2-alpha,4-beta,10-alpha,11-beta-pentahydroxy-3-alpha,8,11a-beta-trimethyl-5H-1,11c-beta-(epoxymethano)phenanthro(10,1-bc)pyran-5-one;DTXSID30951950;1,2,10,11-Tetrahydroxy-3,8,11a-trimethyl-5-oxo-1,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-2H-11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-4-yl 3-methylbutanoate

[(4S,5R,6R,7R,8R,11R,13S,16S,17S,18S,19S)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate Basic Attributes

480.5 g/mol

480.23593272 g/mol

Characteristics

143 Ų

Computed Properties

Molecular Weight:480.5
XLogP3:0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:480.23593272
Monoisotopic Mass:480.23593272
Topological Polar Surface Area:143
Heavy Atom Count:34
Complexity:931
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(4S,5R,6R,7R,8R,11R,13S,16S,17S,18S,19S)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate

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