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Home > Encyclopedia > [(1R,2S,6R,7R,8R,12R,14R)-1,7-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate

[(1R,2S,6R,7R,8R,12R,14R)-1,7-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate

[(1R,2S,6R,7R,8R,12R,14R)-1,7-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate structure

[(1R,2S,6R,7R,8R,12R,14R)-1,7-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate 

structure
  • CAS No:

    115995-14-7

  • Formula:

    C20H24O7

  • Chemical Name:

    [(1R,2S,6R,7R,8R,12R,14R)-1,7-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate

  • Synonyms:

    5-hydroxytomacephalin;115995-14-7;5-Hydroxytomacephalin;DTXSID50921892;2-Butenoic acid, 3-methyl-, 2,3,3a,4,5,7,7a,8a,8b,8c-decahydro-4,8b-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno(2,3)azuleno(4,5-b)furan-5-yl ester, (3aR-(3aalpha,4alpha,5beta,7abeta,8abeta,8balpha,8cbeta))-;4,8b-Dihydroxy-6,8a-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-5-yl 3-methylbut-2-enoate

[(1R,2S,6R,7R,8R,12R,14R)-1,7-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate Basic Attributes

376.4 g/mol

376.15220310 g/mol

Characteristics

106 Ų

Drug Information

5-hydroxytomacephalin

Computed Properties

Molecular Weight:376.4
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:376.15220310
Monoisotopic Mass:376.15220310
Topological Polar Surface Area:106
Heavy Atom Count:27
Complexity:820
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1R,2S,6R,7R,8R,12R,14R)-1,7-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate

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