Chem
J-GLOBAL ID：200907062364046133   Nikkaji number：J2.706.577E

2-Methyl-2-butenoic acid (1S,2R)-1-methyl-2-(tetrahydro-2H-pyran-2-yloxy)-2-(7-methoxy-1,3-benzodioxole-5-yl)ethyl ester

(1R,2S)-1-(7-メトキシ-2H-1,3-ベンゾジオキソール-5-イル)-1-(オキサン-2-イルオキシ)プロパン-2-イル 2-メチルブタ-2-エノアート
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： C21H28O7
Molecular formula furigana： C21-H28-O7
Molecular weight： 392.448
InChI： InChI=1S/C21H28O7/c1-5-13(2)21(22)27-14(3)19(28-18-8-6-7-9-24-18)15-10-16(23-4)20-17(11-15)25-12-26-20/h5,10-11,14,18-19H,6-9,12H2,1-4H3/t14-,18?,19-/m0/s1
InChI key： QRZFWKRRAWUWKR-CJESRSHOSA-N
SMILES： COc1cc(cc2OCOc12)[C@@H](OC1CCCCO1)[C@H](C)OC(=O)C(=CC)C
Systematic name  (3)：
  • 2-メチル-2-ブテン酸(1S,2R)-1-メチル-2-(テトラヒドロ-2H-ピラン-2-イルオキシ)-2-(7-メトキシ-1,3-ベンゾジオキソール-5-イル)エチル
  • (1R,2S)-1-(7-メトキシ-2H-1,3-ベンゾジオキソール-5-イル)-1-(オキサン-2-イルオキシ)プロパン-2-イル 2-メチルブタ-2-エノアート
  • (1R,2S)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1-(oxan-2-yloxy)propan-2-yl 2-methylbut-2-enoate
Other name (1)：
  • 2-Methyl-2-butenoic acid (1S,2R)-1-methyl-2-(tetrahydro-2H-pyran-2-yloxy)-2-(7-methoxy-1,3-benzodioxole-5-yl)ethyl ester
Thsaurus map：
Thesaurus Map

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