Methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(5-ethoxythiophen-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[6-(3-methylbutyl)-1-benzofuran-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzofuran-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate（CAS番号：9028-85-7）

Methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(5-ethoxythiophen-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[6-(3-methylbutyl)-1-benzofuran-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzofuran-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate

基本情報

編集器で閲覧

CAS番号

9028-85-7

分子式

C194H219BrO47S4

分子量

3511 g/mol

EINECS

232-844-2

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品ケトン類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

農業化学品農薬除草剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

物理状態

clear brown

密度

1.1 g/mL at 20 °C

SMILES

編集器で閲覧

CCCC1=CC2=C(C=C1)C=C(O2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CCCC1=CC2=C(C=C1)C=C(S2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CCOC1=CC=C(C=C1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O.CCOC1=CC=C(S1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O.CC1=CC=C(C=C1)OC2=CC=C(S2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CC(C)CCC1=CC2=C(C=C1)C=C(O2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CC(C)CC1=C(C=C(S1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O)Br

InChI

InChI=1S/C31H36O7.C29H30O7S.C29H32O7.C29H32O6S.C26H31BrO6S.C26H30O7.C24H28O7S/c1-19(2)11-12-22-13-14-23-17-24(37-27(23)16-22)15-21(4)30(34)29-25(32)18-26(38-31(29)35)20(3)9-7-6-8-10-28(33)36-5;1-18-10-12-21(13-11-18)35-26-15-14-22(37-26)16-20(3)28(32)27-23(30)17-24(36-29(27)33)19(2)8-6-5-7-9-25(31)34-4;1-5-9-20-12-13-21-16-22(35-25(21)15-20)14-19(3)28(32)27-23(30)17-24(36-29(27)33)18(2)10-7-6-8-11-26(31)34-4;1-5-9-20-12-13-21-16-22(36-25(21)15-20)14-19(3)28(32)27-23(30)17-24(35-29(27)33)18(2)10-7-6-8-11-26(31)34-4;1-15(2)11-22-19(27)13-18(34-22)12-17(4)25(30)24-20(28)14-21(33-26(24)31)16(3)9-7-6-8-10-23(29)32-5;1-5-32-20-13-11-19(12-14-20)15-18(3)25(29)24-21(27)16-22(33-26(24)30)17(2)9-7-6-8-10-23(28)31-4;1-5-30-21-12-11-17(32-21)13-16(3)23(27)22-18(25)14-19(31-24(22)28)15(2)9-7-6-8-10-20(26)29-4/h6,8,13-20,32H,7,9-12H2,1-5H3;5,7,10-17,19,30H,6,8-9H2,1-4H3;2*6,8,12-18,30H,5,7,9-11H2,1-4H3;6,8,12-16,28H,7,9-11H2,1-5H3;6,8,11-17,27H,5,7,9-10H2,1-4H3;6,8,11-15,25H,5,7,9-10H2,1-4H3

InChIKey

MECJGSAIRDLPQG-UHFFFAOYSA-N

LogP

43.68651999999987

トポロジカル極性表面積

710.6400000000004 Å²

水素結合ドナー/アクセプター

7 / 47

複雑度

6460

同義語と引用データ

英語

90463-51-7
9028-85-7
Formate Dehydrogenase from Candida boidinii
Formate Dehydrogenase Pseudomonas spec., recombinant mutante to 79900 from E. coli
Formate Dehydrogenase Pseudomonas spec., recombinant mutante to 79900 NADP-dependant from E. coli from E. coli
Formate Dehydrogenase Pseudomonas spec., recombinant from E. coli
IFDH
FDH
FORMATE DEHYDROGENASE
FORMATE: NAD OXIDOREDUCTASE
FORMATE: NAD+ OXIDOREDUCTASE
Dehydrogenase, formate
NADP-SPECIFIC FORMATE DEHYDROGENASE FROM PSEUDOMONAS SPEC.
Dehydrogenase, formate (9CI)
E.C. 1.17.1.9
E.C. 1.2.1.2
EC 1.17.1.9
EC 1.2.1.2
Formate benzyl-viologen oxidoreductase
Formate benzyl-viologen oxidoreductases
Formate dehydrogenase (NAD)
Formate dehydrogenase H
Formate dehydrogenases
Formate hydrogenlyase
Formate hydrogenlyases
Formate-H2 lyase
Formate-H2 lyases
Formic acid dehydrogenase
Formic acid dehydrogenases
Formic hydrogen-lyase
Formic hydrogen-lyases