Chem
J-GLOBAL ID：200907089298913489   Nikkaji number：J19.638J

Polymatin B

ポリマチン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： C23H28O8
Molecular formula furigana： C23-H28-O8
Molecular weight： 432.469
InChI： InChI=1S/C23H28O8/c1-7-13(3)21(25)31-20-18-14(4)22(26)30-17(18)11-12(2)9-8-10-16(23(27)28-6)19(20)29-15(5)24/h7,10-11,17-20H,4,8-9H2,1-3,5-6H3/b12-11+,13-7-,16-10+/t17-,18+,19?,20+/m1/s1
InChI key： UHWAWGCDKJMSNN-JEPPXJRQSA-N
SMILES： COC(=O)/C/1=C/CC/C(=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(=C\C)/C)C1OC(=O)C)/C
Systematic name  (3)：
  • (3aS,4S,5S,6E,10E,11aR)-5-アセトキシ-2,3,3a,4,5,8,9,11a-オクタヒドロ-10-メチル-3-メチレン-4-[[(Z)-2-メチル-1-オキソ-2-ブテニル]オキシ]-2-オキソシクロデカ[b]フラン-6-カルボン酸メチル
  • メチル (3aS,4S,5S,11aR)-5-(アセチルオキシ)-10-メチル-4-{[(2Z)-2-メチルブタ-2-エノイル]オキシ}-3-メチリデン-2-オキソ-2H,3H,3aH,4H,5H,8H,9H,11aH-シクロデカ[b]フラン-6-カルボキシラート
  • methyl (3aS,4S,5S,11aR)-5-(acetyloxy)-10-methyl-4-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carboxylate
Other name (3)：
  • ポリマチンB
  • Polymatin B
  • (3aS,4S,5S,6E,10E,11aR)-5-Acetoxy-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-4-[[(Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
CAS registry number： 72023-37-1
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