Chem
J-GLOBAL ID：201007028688510506   Nikkaji number：J2.855.545H

Methyl eremofarfuginoate

エレモファルフギン酸メチル
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： C21H30O5
Molecular formula furigana： C21-H30-O5
Molecular weight： 362.466
InChI： InChI=1S/C21H30O5/c1-7-12(2)19(23)26-18-9-8-15-10-17(22)16(13(3)20(24)25-6)11-21(15,5)14(18)4/h7,11,13-15,18H,8-10H2,1-6H3/b12-7-/t13-,14+,15-,18+,21-/m1/s1
InChI key： YVMJSSMOPAOJBG-CNTXUHMLSA-N
SMILES： COC(=O)[C@H](C)C1=C[C@@]2(C)[C@H](CC[C@H](OC(=O)/C(=C\C)/C)[C@@H]2C)CC1=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-酢酸メチル
  • (1R,2S,4aR,8aR)-7-[(2R)-1-メトキシ-1-オキソプロパン-2-イル]-1,8a-ジメチル-6-オキソ-1,2,3,4,4a,5,6,8a-オクタヒドロナフタレン-2-イル (2Z)-2-メチルブタ-2-エノアート
  • (1R,2S,4aR,8aR)-7-[(2R)-1-methoxy-1-oxopropan-2-yl]-1,8a-dimethyl-6-oxo-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl (2Z)-2-methylbut-2-enoate
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 methyl ester
  • エレモファルフギン酸メチル
  • Methyl eremofarfuginoate
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