Forsythoside B（CAS番号：81525-13-5）

Forsythoside B

基本情報

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CAS番号

81525-13-5

分子式

C34H44O19

分子量

756.71 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

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

130-140°C

密度

1.65

溶解度

Methanol; Water; Acetontrile; DMSO

SMILES

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CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O

InChI

InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33+,34+/m0/s1

InChIKey

JMBINOWGIHWPJI-UNSOMVRXSA-N

LogP

-2.550999999999998

トポロジカル極性表面積

304.21 Å²

水素結合ドナー/アクセプター

11 / 19

複雑度

1190

安全情報

安全情報を表示

危険性の表示

H315 皮膚刺激
皮膚腐食性/刺激性

H319 強い眼刺激
眼に対する重篤な損傷性/眼刺激性

H335 呼吸器への刺激のおそれ
特定標的臓器毒性（単回ばく露）；気道刺激性

保管条件

2-8℃

同義語と引用データ

英語

Forsythoside B
Forsythoside
(E)-O-D-Apio-beta-D-furanosyl-(1-6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-3)]-beta-D-glucopyranoside 2-(3,4-dihydroxyphenyl)ethyl 4-[3-(3,4-dihydroxyphenyl)-2-propenoate]
[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
DTXSID101317304
2-(3,4-Dihydroxyphenyl)ethyl O-D-apio-beta-D-furanosyl-(1-6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-3)]-beta-D-glucopyranoside 4-[3-(3,4-Dihydroxyphenyl)-2-propenoate], (E)-
((2R,3R,4R,5R,6R)-2-(((2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxymethyl)-6-(2-(3,4-dihydroxyphenyl)ethoxy)-5-hydroxy-4-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
s9184
AS-56592
DA-73527
((2R,3R,4R,5R,6R)-2-(((2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxymethyl)-6-(2-(3,4-dihydroxyphenyl)ethoxy)-5-hydroxy-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
MEGxp0_000314
CCG-270442
81525-13-5
NCGC00169000-01
CS-6503
Forsythoside-B
(2R,3R,4R,5R,6R)-2-((((2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
GTPL10303
HY-N0029
HMS3886D20
AKOS027250812
ACon1_000521
ForsythosideB
[(2R,3R,4R,5R,6R)-2-[[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate