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Home > Encyclopedia > methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3,10-bis(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3,10-bis(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3,10-bis(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate structure

methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3,10-bis(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate 

structure
  • CAS No:

    81610-86-8

  • Formula:

    C31H38O12

  • Chemical Name:

    methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3,10-bis(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

  • Synonyms:

    81610-86-8;DTXSID301002088;Picras-3-en-21-oic acid, 13,20-epoxy-11,12-dihydroxy-3,15-bis(3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-;Methyl 11,12-dihydroxy-3,15-bis[(3-methylbut-2-enoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate

methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3,10-bis(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate Basic Attributes

602.6 g/mol

602.23632664 g/mol

Characteristics

172 Ų

Computed Properties

Molecular Weight:602.6
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:602.23632664
Monoisotopic Mass:602.23632664
Topological Polar Surface Area:172
Heavy Atom Count:43
Complexity:1380
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3,10-bis(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

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