Chem
J-GLOBAL ID：200907088143107765   Nikkaji number：J19.498K

Microhelenin C

ミクロヘレニンC
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： C20H26O5
Molecular formula furigana： C20-H26-O5
Molecular weight： 346.423
InChI： InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6+/t11-,12+,13+,14-,16-,17+,20+/m1/s1
InChI key： KUPPZVXLWANEJJ-YFVRYKHXSA-N
SMILES： C/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C)OC(=O)[C@H]2C
Systematic name  (4)：
  • (E)-2-メチル-2-ブテン酸[(3S)-2,3,3aα,4,4a,5,7aα,8,9,9aα-デカヒドロ-3,4aβ,8α-トリメチル-2,5-ジオキソアズレノ[6,5-b]フラン-4α-イル]
  • (3aR)-4,4a,7aα,8,9,9aα-ヘキサヒドロ-4α-(チグロイルオキシ)-3β,4aβ,8α-トリメチルアズレノ[6,5-b]フラン-2,5(3H,3aαH)-ジオン
  • (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-トリメチル-2,5-ジオキソ-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-アズレノ[6,5-b]フラン-4-イル (2E)-2-メチルブタ-2-エノアート
  • (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl (2E)-2-methylbut-2-enoate
Other name (4)：
  • ミクロヘレニンC
  • Microhelenin C
  • (E)-2-Methyl-2-butenoic acid [(3S)-2,3,3aα,4,4a,5,7aα,8,9,9aα-decahydro-3,4aβ,8α-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4α-yl] ester
  • (3aR)-4,4a,7aα,8,9,9aα-Hexahydro-4α-(tigloyloxy)-3β,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5(3H,3aαH)-dione
CAS registry number： 63569-07-3
KEGG COMPOUND： C09509
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