Asperulosidic Acid Methyl Ester（CAS番号：14260-99-2）

Asperulosidic Acid Methyl Ester

基本情報

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CAS番号

14260-99-2

分子式

C19H26O12

分子量

446.41 g/mol

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

精密化学品界面活性剤アニオン性界面活性剤

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

Oil

溶解度

Methanol; Water

SMILES

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CC(=O)OCC1=CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O

InChI

InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12?,13?,14+,15-,16+,18-,19-/m0/s1

InChIKey

YSOBQIMODQOGKQ-CQTQKBAKSA-N

LogP

-2.687499999999997

トポロジカル極性表面積

181.44 Å²

水素結合ドナー/アクセプター

5 / 12

複雑度

748

安全情報

安全情報を表示

保管条件

2-8℃

同義語と引用データ

英語

AKOS032962362
SCHEMBL9057631
NCGC00380265-01
CHEMBL3937733
HY-N6245
14260-99-2
(1S)-1alpha-(beta-D-Glucopyranosyloxy)-5beta-hydroxy-7-(acetoxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyra
ASPERULOSIDICACIDMETHYLESTER
(1S)-1alpha-(beta-D-Glucopyranosyloxy)-5beta-hydroxy-7-(acetoxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
CS-0032780
FS-10348
(E)-3-(4-Methoxy-3-(propionyloxy)phenyl)-2-methylacrylic acid
ASPERULOSIDIC ACID METHYL ESTER
CHEBI:182720
Daphylloside
PD100185
NCGC00380265-01_C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)-
methyl (1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Cyclopenta[c]pyran-4-carboxylicacid, 7-[(acetyloxy)methyl]-1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester,(1S,4aS,5S,7aS)-
Cyclopenta[c]pyran-4-carboxylicacid, 7-[(acetyloxy)methyl]-1-(b-D-glucopyranosyloxy)-1,4a,5,7a...
Cyclopenta[c]pyran-4-carboxylicacid, 7-[(acetyloxy)methyl]-1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl
Methyl (1S,4aS,5S,7aS)-7-(acetoxymethyl)-1-(β-D-glucopyranosyloxy )-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Asperulosid
asperulosidic acid methyl ester
RUBICHLORIC ACID
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Methyl asperulosidic acid
(1S)-7-(Acetoxymethyl)-1α-(β-D-glucopyranosyloxy)-1,4aα,5,7aα-tetrahydro-5β-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester
(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
(1S,4aα,7aα)-7-[(Acetyloxy)methyl]-1α-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5β-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester
Methyl (4aR,7aR)-7-(acetyloxymethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,