Chem
J-GLOBAL ID：200907064016064074   Nikkaji number：J15.341I

Elephantin

エレファンチン
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： C20H22O7
Molecular formula furigana： C20-H22-O7
Molecular weight： 374.389
InChI： InChI=1S/C20H22O7/c1-9(2)5-14(21)25-13-7-11-6-12(24-19(11)23)8-20(4)17(27-20)16-15(13)10(3)18(22)26-16/h5-6,12-13,15-17H,3,7-8H2,1-2,4H3/t12-,13-,15+,16-,17+,20+/m0/s1
InChI key： HSTUUCOYVIWGLJ-DXUAHVLSSA-N
SMILES： CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C)O[C@@H]3[C@H]3OC(=O)C(=C)[C@H]13)OC2=O)C
Systematic name  (3)：
  • 3-メチル-2-ブテン酸[(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-デカヒドロ-1a-メチル-9-メチレン-5,10-ジオキソ-5H-3,6-メテノフロ[2,3-f]オキシレノ[d]オキサシクロウンデシン-8-イル]
  • (1R,3R,5R,6S,10R,11S)-3-メチル-9-メチリデン-8,14-ジオキソ-4,7,15-トリオキサテトラシクロ[11.2.1.03,5.06,10]ヘキサデカ-13(16)-エン-11-イル 3-メチルブタ-2-エノアート
  • (1R,3R,5R,6S,10R,11S)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl 3-methylbut-2-enoate
Other name (3)：
  • エレファンチン
  • Elephantin
  • 3-Methyl-2-butenoic acid [(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl] ester
CAS registry number： 21899-50-3
KEGG COMPOUND： C09402
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