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Home > Encyclopedia > [(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 3-methylbut-2-enoate

[(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 3-methylbut-2-enoate

[(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 3-methylbut-2-enoate structure

[(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 3-methylbut-2-enoate 

structure
  • CAS No:

    115995-12-5

  • Formula:

    C20H22O7

  • Chemical Name:

    [(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 3-methylbut-2-enoate

  • Synonyms:

    montacephalin;115995-12-5;DTXSID30921890;A806716;[(3aR,4R,5R,9aR,9bS)-6,9-dimethyl-3-methylidene-4,9a-bis(oxidanyl)-2,7-bis(oxidanylidene)-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 3-methylbut-2-enoate;2-Butenoic acid, 3-methyl-, 2,3,3a,4,5,7,9a,9b-octahydro-4,9a-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno(4,5-b)furan-5-yl ester, (3aR-(3aalpha,4alpha,5beta,9aalpha,9bbeta))-;3-methyl-2-butenoic acid [(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] ester;4,9a-Dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-5-yl 3-methylbut-2-enoate

[(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 3-methylbut-2-enoate Basic Attributes

374.4 g/mol

374.13655304 g/mol

Characteristics

110 Ų

Drug Information

montacephalin

Computed Properties

Molecular Weight:374.4
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:374.13655304
Monoisotopic Mass:374.13655304
Topological Polar Surface Area:110
Heavy Atom Count:27
Complexity:856
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(3aR,4R,5R,9aR,9bS)-4,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] 3-methylbut-2-enoate

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