Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate（CAS番号：117479-87-5）

Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate

基本情報

編集器で閲覧

CAS番号

117479-87-5

分子式

C17H24O12

分子量

420.37 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

Powder

溶解度

DMSO,Methanol,Acetontrile,Water

SMILES

編集器で閲覧

CC12C3C(OC=C(C3(C(C1O2)O)O)C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C17H24O12/c1-16-10-15(28-14-9(21)8(20)7(19)6(3-18)27-14)26-4-5(13(23)25-2)17(10,24)11(22)12(16)29-16/h4,6-12,14-15,18-22,24H,3H2,1-2H3/t6-,7-,8+,9-,10-,11-,12+,14+,15+,16-,17+/m1/s1

InChIKey

XZVXEPPPQBLGMQ-HISQCTEXSA-N

LogP

-3.904599999999995

トポロジカル極性表面積

187.89999999999998 Å²

水素結合ドナー/アクセプター

6 / 12

複雑度

713

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

Sesamoside
Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester. (1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, [1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha)]-
2-(beta-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid methyl ester. (1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
CS-0008942
117479-87-5
Methyl 2-(hexopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate
s9405
methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
MS-27371
MFCD20274707
HY-N0412
DTXSID00922430
3-HYDROXYHEXADECANOICACIDMETHYLESTER
CHEMBL2048637
AKOS032946156
Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, (1aR,1bS,2S,5aR,6R,6aS)-
Q2S45L3ZVB
CCG-268887
Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(β-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate
Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylicacid, 2-(b-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a...
SESAMOSIDE
2-(β-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid methyl ester. (1aR-(1aα,1bβ,2β,5aβ,6β,6aα))-
Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid, 2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester. (1aR-(1aα,1bβ,2β,5aβ,6β,6aα))-
(1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid methyl ester
[ "" ]
C17H24O12
W1758
N2284
Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid,