Chem
J-GLOBAL ID：200907038750518572   Nikkaji number：J20.237A

Aguerin B

アグエリンB
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： C19H22O5
Molecular formula furigana： C19-H22-O5
Molecular weight： 330.380
InChI： InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1
InChI key： ZGDWDAMVZDRRQA-NQLMQOPMSA-N
SMILES： CC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
Systematic name  (4)：
  • (3aR,3aβ,6aβ,9aβ,9bα)-デカヒドロ-4β-(メタクリロイルオキシ)-8α-ヒドロキシ-3,6,9-トリスメチレンアズレノ[4,5-b]フラン-2(3H)-オン
  • 2-メチルプロペン酸[(3aR,6aβ,9aβ,9bα)-ドデカヒドロ-8α-ヒドロキシ-3,6,9-トリス(メチレン)-2-オキソアズレノ[4,5-b]フラン-4β-イル]
  • (3aR,4S,6aR,8S,9aR,9bR)-8-ヒドロキシ-3,6,9-トリメチリデン-2-オキソ-ドデカヒドロアズレノ[4,5-b]フラン-4-イル 2-メチルプロパ-2-エノアート
  • (3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate
Other name (3)：
  • アグエリンB
  • Aguerin B
  • 2-Methylpropenoic acid [(3aR,6aβ,9aβ,9bα)-dodecahydro-8α-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4β-yl] ester
CAS registry number： 68370-45-6
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