Chem
J-GLOBAL ID：200907079036330525   Nikkaji number：J2.308.836C

3-[4-[2-(Dimethylamino)ethoxy]phenyl]acrylic acid (3R)-4β-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-5α-methoxy-1-oxaspiro[2.5]octane-6α-yl ester

3-[4-[2-(ジメチルアミノ)エトキシ]フェニル]アクリル酸(3R)-4β-[(2R,3R)-2-メチル-3-(3-メチル-2-ブテニル)オキシラニル]-5α-メトキシ-1-オキサスピロ[2.5]オクタン-6α-イル
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： C29H41NO6
Molecular formula furigana： C29-H41-N-O6
Molecular weight： 499.648
InChI： InChI=1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/t23-,24-,26-,27-,28+,29+/m1/s1
InChI key： ZEZFKUBILQRZCK-AJRGIQLZSA-N
SMILES： CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)C=Cc1ccc(OCCN(C)C)cc1
Systematic name  (3)：
  • 3-[4-[2-(ジメチルアミノ)エトキシ]フェニル]アクリル酸(3R)-4β-[(2R,3R)-2-メチル-3-(3-メチル-2-ブテニル)オキシラニル]-5α-メトキシ-1-オキサスピロ[2.5]オクタン-6α-イル
  • (3R,4S,5S,6R)-5-メトキシ-4-[(2R,3R)-2-メチル-3-(3-メチルブタ-2-エン-1-イル)オキシラン-2-イル]-1-オキサスピロ[2.5]オクタン-6-イル 3-{4-[2-(ジメチルアミノ)エトキシ]フェニル}プロパ-2-エノアート
  • (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl 3-{4-[2-(dimethylamino)ethoxy]phenyl}prop-2-enoate
Other name (1)：
  • 3-[4-[2-(Dimethylamino)ethoxy]phenyl]acrylic acid (3R)-4β-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-5α-methoxy-1-oxaspiro[2.5]octane-6α-yl ester
Thsaurus map：
Thesaurus Map

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