Chem
J-GLOBAL ID：201007052616227603   Nikkaji number：J2.855.544J

Eremofarfuginoic acid

エレモファルフギン酸
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： C20H28O5
Molecular formula furigana： C20-H28-O5
Molecular weight： 348.439
InChI： InChI=1S/C20H28O5/c1-6-11(2)19(24)25-17-8-7-14-9-16(21)15(12(3)18(22)23)10-20(14,5)13(17)4/h6,10,12-14,17H,7-9H2,1-5H3,(H,22,23)/b11-6-/t12-,13+,14-,17+,20-/m1/s1
InChI key： XMXSEIHUFASIQO-WEZYICSOSA-N
SMILES： C/C=C(/C)\C(=O)O[C@H]1CC[C@@H]2CC(=O)C(=C[C@]2(C)[C@H]1C)[C@@H](C)C(=O)O
Systematic name  (3)：
  • (αR,4aR)-α,8α,8aα-トリメチル-3-オキソ-7α-[[(Z)-2-メチル-2-ブテノイル]オキシ]-3,4,4aα,5,6,7,8,8a-オクタヒドロナフタレン-2-酢酸
  • (2R)-2-[(4aR,7S,8R,8aR)-8,8a-ジメチル-7-{[(2Z)-2-メチルブタ-2-エノイル]オキシ}-3-オキソ-3,4,4a,5,6,7,8,8a-オクタヒドロナフタレン-2-イル]プロパン酸
  • (2R)-2-[(4aR,7S,8R,8aR)-8,8a-dimethyl-7-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]propanoic acid
Other name (3)：
  • (αR,4aR)-α,8α,8aα-Trimethyl-3-oxo-7α-[[(Z)-2-methyl-2-butenoyl]oxy]-3,4,4aα,5,6,7,8,8a-octahydronaphthalene-2-acetic acid
  • エレモファルフギン酸
  • Eremofarfuginoic acid
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