(3beta,16alpha)-3-(beta-D-Glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid（CAS番号：78285-90-2）

(3β,16α)-3-(β-D-グリコポリ.CompareTagSO-オリマー)-16-ヒドロキシオレアン-12-エン-28-オキ酸

基本情報

編集器で閲覧

CAS番号

78285-90-2

分子式

C36H58O9

分子量

634.85 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

重合体およびプラスチック熱可塑性プラスチックポリオレフィン

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

沸点

752.6℃ at 760 mmHg

密度

1.27±0.1 g/cm3 (20 ºC 760 Torr),

引火点

228.6±26.4 °C

溶解度

Insuluble (1.1E-3 g/L) (25 ºC),

SMILES

編集器で閲覧

CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C(=O)O)C

InChI

InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1

InChIKey

WYDPEADEZMZKNM-ZBKPBKBGSA-N

LogP

4.028600000000002

トポロジカル極性表面積

156.91 Å²

水素結合ドナー/アクセプター

6 / 9

複雑度

1210

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

CHEMBL3343916
78285-90-2
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
ECHINOCYSTICACID-3-GLUCOSIDE
CHEBI:184046
NS00058414
Echinocystic acid 3-glucoside
AKOS040750442
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Gleditschoside B
Echinocystic acid 3-O-.beta.-D-glucopyranoside
Gleditsoside B
Olean-12-en-28-oic acid, 3-(b-D-glucopyranosyloxy)-16-hydroxy-,(3b,16a)-
AC-34295
MFCD00017386
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-5-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Eclalbasaponin II
s9403
A839703
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Eclalbasaponin II, analytical standard
Echinocystic acid-3-o-glucoside
HY-N1508
CS-0017051
DTXSID10999638
Ecliptasaponin A
CCG-270299
Olean-12-en-28-oicacid, 3-(b-D-glucopyranosyloxy)-16-hydroxy-,(3b,16a)-
ECHINOCYSTIC ACID-3-GLUCOSIDE
ECHINOCYSTIC ACID-3-GLUCOSIDE(AS)
Echinocystic acid-3-O-glucoside