Chem
J-GLOBAL ID:200907088876727875   Nikkaji number:J12.452D

Budlein A

ブドレインA
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/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17+,20-/m1/s1
InChI key: BMVJFNLJSZHNNS-ZXRHVTAXSA-N
SMILES: C/C=C(/C)\C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)/C(=C\[C@H]2OC(=O)C(=C)[C@H]12)/CO
Systematic name  (3):
  • (Z)-2-メチル-2-ブテン酸(3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11a-オクタヒドロ-10-ヒドロキシメチル-6-メチル-3-メチレン-2,7-ジオキソ-6,9-エポキシシクロデカ[b]フラン-4-イル
  • (2Z,4R,8R,9R,11R)-2-(ヒドロキシメチル)-11-メチル-7-メチリデン-6,12-ジオキソ-5,14-ジオキサトリシクロ[9.2.1.04,8]テトラデカ-1(13),2-ジエン-9-イル (2Z)-2-メチルブタ-2-エノアート
  • (2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl (2Z)-2-methylbut-2-enoate
Other name (3):
  • ブドレインA
  • Budlein A
  • (Z)-2-Methyl-2-butenoic acid (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11a-octahydro-10-hydroxymethyl-6-methyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester
CAS registry number: 59481-48-0
KEGG COMPOUND: C09351
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