Chem
J-GLOBAL ID：200907075393680660   Nikkaji number：J20.229K

Antheridiogen-An

アンテリジオゲンAn
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H22O6
Molecular formula furigana： C19-H22-O6
Molecular weight： 346.379
InChI： InChI=1S/C19H22O6/c1-8-9-3-5-18(14(8)21)10(7-9)12(15(22)23)13-17(2)11(20)4-6-19(13,18)25-16(17)24/h7,9,11-14,20-21H,1,3-6H2,2H3,(H,22,23)/t9-,11+,12-,13-,14+,17-,18-,19+/m1/s1
InChI key： JTZFSLGTRUNHFY-QZVHHHNJSA-N
SMILES： C[C@]12[C@H]3[C@H](C(=O)O)C4=C[C@H]5CC[C@@]4([C@@H](O)C5=C)[C@@]3(CC[C@@H]1O)OC2=O
Systematic name  (3)：
  • (1S)-1,3,4,5,6,7,9,9aβ-オクタヒドロ-2β,5β-ジヒドロキシ-1-メチル-6-メチレン-13-オキソ-4aα,1α-(エポキシメタノ)-4bα,7α-エタノ-2H-フルオレン-9β-カルボン酸
  • (1S,2R,3S,5R,8S,9R,10S,11S)-3,11-ジヒドロキシ-10-メチル-4-メチリデン-15-オキソ-14-オキサペンタシクロ[8.3.2.22,5.01,9.02,7]ヘプタデカ-6-エン-8-カルボン酸
  • (1S,2R,3S,5R,8S,9R,10S,11S)-3,11-dihydroxy-10-methyl-4-methylidene-15-oxo-14-oxapentacyclo[8.3.2.22,5.01,9.02,7]heptadec-6-ene-8-carboxylic acid
Other name (7)：
  • アンテリジオゲンAn
  • アンテリジオゲンAn
  • Antheridiogen An
  • Antheridiogen An
  • (1S)-1,3,4,5,6,7,9,9aβ-Octahydro-2β,5β-dihydroxy-1-methyl-6-methylene-13-oxo-4aα,1α-(epoxymethano)-4bα,7α-ethano-2H-fluorene-9β-carboxylic acid
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CAS registry number： 34327-25-8
KEGG COMPOUND： C09062
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