(3beta,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid（CAS番号：51330-27-9）

(3beta,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid

基本情報

編集器で閲覧

CAS番号

51330-27-9

分子式

C48H78O18

分子量

943.13 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

融点

238-240°C

溶解度

ethanol: soluble1mg/mL, clear, colorless

SMILES

編集器で閲覧

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O

InChI

InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1

InChIKey

PTDAHAWQAGSZDD-IOVCITQVSA-N

LogP

0.7046000000000152

トポロジカル極性表面積

294.97999999999996 Å²

水素結合ドナー/アクセプター

11 / 18

複雑度

1820

安全情報

安全情報を表示

保管条件

-20℃

同義語と引用データ

英語

SCM 3B
beta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-
b-D-Glucopyranosiduronic acid, (3b,4b,22b)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-.alpha.-L-mannopyranosyl-(1.2)-O-.beta.-D-galactopyranosyl-(1.2)-
Q27108314
SoyasaponinBb
CHEMBL511016
CCRIS 6617
CHEBI:9211
Soyasaponin Bb
O0587
51330-27-9
Soyasaponin I
Oleanane, b-D-glucopyranosiduronic acid deriv.
1ST159397
SCHEMBL397064
MFCD02752366
Soyasaponin Bb(Soyasaponin I)
AC-34174
C08983
PTDAHAWQAGSZDD-IOVCITQVSA-N
Q-100575
DTXSID901031429
(3beta,22beta)-22,24-dihydroxyolean-12-en-3-yl alpha-L-rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
Soyasaponin-Bb
MS-31761
HY-N0310
Soybean saponin fraction B1
(3beta,22beta)-22,24-dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
soyasaponin 1
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
AKOS030530134